SCHEMBL10227068

SCHEMBL10227068

CCCC(C)(C)c1ccc(C(=O)c2ccc(Oc3ccc4cc(OC(C)(CC)c5ccc(C(=O)c6ccc(C)cc6)cc5)ccc4c3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ ELANE P08246 1/20 0.39
▸ MMP13 P45452 4/20 0.37
▸ MAPK1 P28482 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 2/20 0.34
▸ MAOB P27338 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ MAPK14 Q16539 2/20 0.34
▸ PTGS2 P35354 1/20 0.34
▸ CYP1A1 P04798 2/20 0.33
▸ CYP1B1 Q16678 2/20 0.33

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
SCHEMBL12113388 0.93 NPC1 (0.50) NPC1RAB9APOLBCYP2C9MMP13
SCHEMBL13668720 0.91 NPC1 (0.48) NPC1RAB9APOLBCYP2C9MMP13
SCHEMBL13266245 0.84 CYP2C9 (0.37) NPC1RAB9APOLBCYP2C9MMP13
SCHEMBL10227070 0.82 NPC1 (0.55) NPC1RAB9APOLBCYP2C9MMP13
SCHEMBL13082664 0.82 PPARA (0.40) NPC1RAB9APOLBCYP2C9ELANE
SCHEMBL13082581 0.81 MCL1 (0.40) NPC1RAB9APOLBCYP2C9ELANE
SCHEMBL13082580 0.81 MCL1 (0.40) NPC1RAB9APOLBCYP2C9ELANE
SCHEMBL13181445 0.80 NPC1 (0.44) NPC1RAB9APOLBCYP2C9ELANE
SCHEMBL12606798 0.79 NPC1 (0.56) NPC1RAB9APOLBCYP2C9ELANE
SCHEMBL10227054 0.78 PPARA (0.43) NPC1RAB9APOLBCYP2C9ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293905-B2 Bipyridine compound, transition metal complex, and method for production of conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-10-23 — — US disclosed
US-8088883-B2 Transition metal complex and process for producing conjugated aromatic compound using the transition metal complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-03 — — US disclosed
US-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED 2011-02-24 — — US disclosed
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-07-22 — — US disclosed
US-20090269645-A1 POLYMER, POLYMER ELECTROLYTE AND FUEL CELL USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-10-29 — — US disclosed
US-20090253015-A1 POLYARYLENE BLOCK COPOLYMER AND USE THEREOF SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) 2009-10-08 — — US disclosed
US-20090036632-A1 Polyarylene and Process for Producing the Same SUMITOMO CHEMICAL COMPANY, LIMITED 2009-02-05 — — 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 (3 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-20110046336-A1 TRANSITION METAL COMPLEX AND PROCESS FOR PRODUCING CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP1M1 NPC1 1871/4885RAB9A 392/4885POLB 2820/4885
US-20100184978-A1 BIPYRIDINE COMPOUND, TRANSITION METAL COMPLEX, AND METHOD FOR PRODUCTION OF CONJUGATED AROMATIC COMPOUND USING THE TRANSITION METAL COMPLEX C9, C5, AP2M1 NPC1 1945/4885RAB9A 206/4885POLB 3351/4885
US-20090036632-A1 Polyarylene and Process for Producing the Same CYP1A1, CYP1B1, C1R NPC1 1867/4885RAB9A 3021/4885POLB 1270/4885

“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.

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