SCHEMBL9976802

SCHEMBL9976802

CC(C)(C)CC(O)COc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.63
LMNA P02545 2/20 0.58
ADRB2 P07550 1/20 0.56
ADRB1 P08588 1/20 0.56
ADRB3 P13945 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.51
KDM4E B2RXH2 1/20 0.50
CASR P41180 3/20 0.49
MAPT P10636 2/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
RECQL P46063 1/20 0.49
HTT P42858 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
POLB P06746 1/20 0.48
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47

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
SCHEMBL19227013 0.85 ABCB1 (0.64) CYP2D6LMNAMAPTHTTSMN1; SMN2
SCHEMBL22359960 0.84 CYP2D6 (0.58) CYP2D6LMNAADRB2ADRB1ADRB3
SCHEMBL16093325 0.84 USP2 (0.57) CYP2D6LMNAKDM4EMAPTTSHR
SCHEMBL23895833 0.82 BACE1 (0.46) CYP2D6LMNAADRB2ADRB1ADRB3
SCHEMBL22710404 0.82 MAPT (0.57) CYP2D6LMNAKDM4EMAPTTSHR
SCHEMBL267463 0.82 LMNA (0.68) CYP2D6LMNAADRB2ADRB1ADRB3
SCHEMBL22360054 0.80 CYP2D6 (0.54) CYP2D6LMNAADRB2ADRB1ADRB3
SCHEMBL22359881 0.79 CYP2D6 (0.52) CYP2D6LMNAADRB2ADRB1ADRB3
SCHEMBL20964385 0.79 CYP2D6 (0.49) CYP2D6LMNAADRB2ADRB1ADRB3
SCHEMBL14922116 0.79 CYP2D6 (0.59) CYP2D6LMNAADRB2ADRB1ADRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210309633-A1 INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-10-07 US disclosed
WO-2020235522-A1 AMINOALKYL GROUP-CONTAINING ORGANOPOLYSILOXANE AND FIBER TREATMENT AGENT 信越化学工業株式会社 (JP) 2020-11-26 WO disclosed
US-20190127599-A1 DISPERSION OF IR ABSORPTION PARTICLES, INKJET INK, AND METHOD OF 3D PRINTING INDUSTRIAL TECHNOLOGY RESEARCH INSTITUTE (TW) 2019-05-02 US disclosed
US-9079901-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2015-07-14 US disclosed
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS GILEAD SCIENCES, INC. 2015-03-19 US disclosed
US-8703759-B2 Fused heterocyclic compounds as ion channel modulators GILEAD SCIENCES, INC. (US) 2014-04-22 US disclosed
US-8202995-B2 Pharmaceutically acceptable salts of aporphine derivatives and carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2012-06-19 US disclosed
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators GILEAD SCIENCES, INC. 2012-01-12 US disclosed
US-8093260-B2 Aporphine derivatives and pharmaceutical use thereof STANDARD CHEM. & PHARM. CO., LTD. (TW) 2012-01-10 US disclosed
US-20090318488-A1 Pharmaceutically acceprable salts of aporphine compounds of carboxyl group-containing agents and methods for preparing the same STANDARD CHEM. & PHARM. CO., LTD. (TW) 2009-12-24 US disclosed
US-20090318489-A1 Aporphine compounds and pharmaceutical use thereof STANDARD CHEM. & PHARM. CO., LTD. (TW) 2009-12-24 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 (5 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-20210309633-A1 INDAZOLE CARBOXAMIDES AS KINASE INHIBITORS RIPK3, RIPK1, RIPK2 CYP2D6 2150/4885LMNA 3831/4885ADRB2 3761/4885
US-20150080370-A1 FUSED HETEROCYCLIC COMPOUNDS AS ION CHANNEL MODULATORS KCNJ2, KCNH2, CACNA1E CYP2D6 1520/4885LMNA 1181/4885ADRB2 257/4885
US-20090318489-A1 Aporphine compounds and pharmaceutical use thereof IAPP, OPRL1, AGER CYP2D6 551/4885LMNA 3468/4885ADRB2 70/4885
US-20120010192-A1 Fused Heterocyclic Compounds as Ion Channel Modulators KCNJ2, KCNH2, CACNA1E CYP2D6 1520/4885LMNA 1181/4885ADRB2 257/4885
US-20090318488-A1 Pharmaceutically acceprable salts of aporphine compounds of carboxyl group-containing agents and methods for preparing the same IAPP, GPR119, AMY2A CYP2D6 171/4885LMNA 3498/4885ADRB2 33/4885

“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.