SCHEMBL10220397

SCHEMBL10220397

CC(C)(C)c1ccc(-c2ccccc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
NFKB1 P19838 2/20 0.45
RAB9A P51151 2/20 0.45
NFKB2 Q00653 2/20 0.45
RELA Q04206 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KIF11 P52732 2/20 0.44
SYK P43405 1/20 0.40
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MAPT P10636 1/20 0.37
CASP1 P29466 1/20 0.37
ATM Q13315 1/20 0.37
CHRNA7 P36544 1/20 0.36
KCNH2 Q12809 1/20 0.36
PSMB5 P28074 1/20 0.36
LGMN Q99538 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14327688 0.89 KIF11 (0.38) NPC1RAB9AKIF11KCNH2LGMN
SCHEMBL25557807 0.85 TSHR (0.41) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL19539436 0.84 CCR9 (0.35) NPC1NFKB1RAB9ANFKB2RELA
SCHEMBL12173602 0.83 KIF11 (0.53) NPC1RAB9AKIF11ALDH1A1CA12
SCHEMBL14062425 0.83 KIF11 (0.53) NPC1RAB9AKIF11ALDH1A1CA12
SCHEMBL2733524 0.82 KIF11 (0.62) KIF11ALDH1A1CA12CA1CA2
SCHEMBL22601471 0.82 KIF11 (0.55) NPC1RAB9ASMN1; SMN2KIF11ALDH1A1
SCHEMBL22601469 0.82 GPR55 (0.40) KIF11KCNH2LGMN
SCHEMBL23602037 0.80 MAP4K4 (0.42) NPC1RAB9ACA1CA2
SCHEMBL15706254 0.80 KIF11 (0.54) KIF11ALDH1A1ATM

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11864458-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2024-01-02 US disclosed
US-20230200211-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-06-22 US disclosed
US-20230165134-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-25 US disclosed
US-20230146345-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-05-11 US disclosed
US-20220216426-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-07-07 US disclosed
US-20220165963-A1 ORGANIC COMPOUND, USE THEREOF AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2022-05-26 US disclosed
US-20210292351-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-09-23 US disclosed
US-20210104690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2021-04-08 US disclosed
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 HEPAGENE THERAPEUTICS, INC. (VG) 2020-10-29 US disclosed
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof D. E. SHAW RESEARCH, LLC 2020-10-01 US disclosed
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2010-04-22 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY 2009-10-29 US disclosed
US-20090246820-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2009-10-01 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 US disclosed
US-20080071095-A1 Cystic fibrosis transmembrane conductance VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-03-20 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed
US-20070264196-A1 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED 2007-11-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (16 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100099684-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885NFKB1 2630/4885RAB9A 333/4885
US-20210292351-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OSBP, OCIAD1 NPC1 2692/4885NFKB1 3281/4885RAB9A 3518/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 28/4885NFKB1 1946/4885RAB9A 2557/4885
US-20230165134-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OCIAD1, TPO NPC1 1826/4885NFKB1 3279/4885RAB9A 3415/4885
US-20070264196-A1 Modulators of ATP-binding cassette transporters CFTR, ABCB1, ABCC2 NPC1 29/4885NFKB1 1641/4885RAB9A 2302/4885
US-20220165963-A1 ORGANIC COMPOUND, USE THEREOF AND ORGANIC ELECTROLUMINESCENT DEVICE USING SAME ARL1, ORC3, EML4 NPC1 1894/4885NFKB1 4194/4885RAB9A 1281/4885
US-20090270405-A1 QUINUCLIDINE COMPOUNDS AS ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA7, CHRNA5, CHRNA6 NPC1 896/4885NFKB1 2630/4885RAB9A 333/4885
US-11864458-B2 Organic electroluminescent materials and devices RAP1A, L1CAM, SOD1 NPC1 4033/4885NFKB1 1543/4885RAB9A 676/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 NPC1 28/4885NFKB1 1946/4885RAB9A 2557/4885
US-20230200211-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD2, OPRM1, OCIAD1 NPC1 3358/4885NFKB1 1844/4885RAB9A 1080/4885
US-20200308165-A1 Compounds as Ras Inhibitors and Use Thereof KRAS, NRAS, HRAS NPC1 1256/4885NFKB1 1098/4885RAB9A 21/4885
US-20080071095-A1 Cystic fibrosis transmembrane conductance CFTR, ABCB1, ABCC1 NPC1 38/4885NFKB1 2018/4885RAB9A 1885/4885
US-20200339530-A1 UREA DERIVATIVES AS INHIBITORS OF ASK1 ATF1, ERN1, MAP3K1 NPC1 1692/4885NFKB1 270/4885RAB9A 2977/4885
US-20220216426-A1 NITROGEN-CONTAINING COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND ELECTRONIC APPARATUS NCL, DNMT3A, NUDT1 NPC1 1132/4885NFKB1 3849/4885RAB9A 322/4885
US-20210104690-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES RAP1A, L1CAM, SOD1 NPC1 4033/4885NFKB1 1543/4885RAB9A 676/4885
US-20230146345-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES LAGE3, ERCC1, DDT NPC1 4635/4885NFKB1 4289/4885RAB9A 2089/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.