SCHEMBL12690262

SCHEMBL12690262

CC(C)n1ccc(C(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 1/20 0.33
BCHE P06276 6/20 0.32
ACHE P22303 6/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL15723869 0.80 CA2 (0.34) TSHRLMNAALDH1A1
SCHEMBL18174946 0.77
SCHEMBL839876 0.71 NOTUM (0.31) TYR
SCHEMBL18556461 0.71 RAF1 (0.33) RAF1ALDH1A1
SCHEMBL1119916 0.69
SCHEMBL8738019 0.69 CA12 (0.38) BCHEACHETSHRLMNATYR
SCHEMBL13394708 0.68 TP53 (0.31) TSHR
SCHEMBL24609263 0.67 TSHR (0.35) BCHEACHETSHRLMNATYR
SCHEMBL16656517 0.67
SCHEMBL28276651 0.67

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227437-A1 IMMUNOMODULATOR HITGEN INC (CN) 2023-07-20 US disclosed
US-20220169651-A1 TYK2 PSEUDOKINASE LIGANDS VENTYX BIOSCIENCES, INC. 2022-06-02 US disclosed
WO-2021055589-A1 HETEROARYL PLASMA KALLIKREIN INHIBITORS SHIRE HUMAN GENETIC THERAPIES, INC. (US) 2021-03-25 WO disclosed
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof ARAXES PHARMA LLC (US) 2019-04-02 US disclosed
US-9951010-B2 Compounds as CRTH2 antagonist and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-04-24 US disclosed
US-9951010-B2 Compounds as CRTH2 antagonist and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-04-24 US disclosed
US-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-09-21 US disclosed
US-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-09-21 US disclosed
US-9000020-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2015-04-07 US disclosed
US-8580825-B2 Oxadiazole inhibitors of leukotriene production BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-11-12 US disclosed
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC (US) 2013-11-07 US disclosed
US-8507522-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-08-13 US disclosed
US-8314135-B2 Linked dibenzimidazole antivirals ENANTA PHARMACEUTICALS, INC. (US) 2012-11-20 US disclosed
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-09-27 US disclosed
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS ENANTA PHARMACEUTICALS, INC. 2010-10-21 US disclosed
US-20100260715-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2010-10-14 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 (8 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-20100260715-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 RAF1 3123/4885BCHE 2904/4885ACHE 4018/4885
US-10246424-B2 Substituted quinazoline compounds and methods of use thereof KRAS, NRAS, HRAS RAF1 18/4885BCHE 4147/4885ACHE 3719/4885
US-20230227437-A1 IMMUNOMODULATOR IL17A, IL2, IL2RA RAF1 3654/4885BCHE 3279/4885ACHE 4158/4885
US-20120245162-A1 OXADIAZOLE INHIBITORS OF LEUKOTRIENE PRODUCTION LTB4R, LTC4S, LTB4R2 RAF1 3866/4885BCHE 2621/4885ACHE 2143/4885
US-20220169651-A1 TYK2 PSEUDOKINASE LIGANDS TYK2, JAK2, PTK2B RAF1 265/4885BCHE 4237/4885ACHE 4782/4885
US-20100266543-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 RAF1 3971/4885BCHE 1913/4885ACHE 4053/4885
US-20130295049-A1 LINKED DIBENZIMIDAZOLE ANTIVIRALS EIF2AK2, ZC3HAV1, NSUN2 RAF1 3971/4885BCHE 1913/4885ACHE 4053/4885
US-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF HRH2, PTGDR2, HRH1 RAF1 3143/4885BCHE 2654/4885ACHE 4121/4885

“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.