SCHEMBL6236758

SCHEMBL6236758

CC(C)C[Si](C)(C)Oc1ccc(Br)cc1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.35
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
LMNA P02545 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LDHA P00338 1/20 0.32
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
RAB9A P51151 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAOA P21397 1/20 0.32
HTT P42858 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
SCHEMBL6235956 0.81
SCHEMBL9697307 0.80 LMNA (0.39) KDM4ELMNAMAOA
SCHEMBL6236737 0.79 MAOB (0.41) MAPTALDH1A1KDM4ELMNARAB9A
SCHEMBL9842003 0.75 ESR1 (0.39) MAPTKDM4ELMNATDP1MEN1
SCHEMBL9843277 0.75 ESR1 (0.39) MAPTKDM4ELMNATDP1MEN1
SCHEMBL22235644 0.73 SIGMAR1 (0.38) MEN1KMT2ARAB9ANPC1
SCHEMBL3894497 0.72 CYP2A6 (0.42) MAPTALDH1A1KDM4ELMNATDP1
SCHEMBL6585059 0.72 MGLL (0.43) MAPTKDM4ESMN1; SMN2LMNATDP1
SCHEMBL481885 0.71 MAPT (0.37) MAPTALDH1A1KDM4ESMN1; SMN2LMNA
SCHEMBL7480658 0.71 MMP2 (0.39) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6942980-B1 Methods of identifying compounds having nuclear receptor negative hormone and/or antagonist activities ALLERGAN, INC. (US) 2005-09-13 US disclosed
EP-1535919-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Allergan, Inc. (US) 2005-06-01 EP disclosed
EP-1042313-B1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST LIKE ACTIVITY ALLERGAN INC (US) 2004-04-28 EP disclosed
US-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities KLEIN ELLIOTT S (US) 2003-11-27 US disclosed
EP-0931786-B1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN INC (US) 2003-08-06 EP disclosed
EP-0853610-B1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES INC (US) 2003-03-05 EP disclosed
US-6521624-B1 Prevention or amelioration of toxicity or undesired side effect caused by a retinoid compound ALLERGAN, INC. 2003-02-18 US disclosed
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities ALLERGAN, INC. 2002-10-24 US disclosed
US-6469028-B1 ARYL-SUBSTITUTED AND ARYL AND (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE, AND 5,6-DIHYDRONAPHTHALENE DERIVATIVES ALLERGAN, INC. 2002-10-22 US disclosed
US-6228848-B1 3-(1-PROPEN-3-OXO)-5,6-DIHYDRONAPHTHALENE DERIVATIVES; SIDE EFFECT REDUCTION ALLERGAN, INC. 2001-05-08 US disclosed
US-6008204-A ANTIDOTES FOR PREVENTING CERTAIN UNDESIRED SIDE EFFECTS OF RETINOIDS ALLERGAN SALES, INC. (US) 1999-12-28 US disclosed
US-5958954-A 2,2-DIALKYL-4-ARYL-SUBSTITUTED BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES ALLERGAN SALES, INC. (US) 1999-09-28 US disclosed
US-5952345-A RETINOID ACID RECEPTOR ANTAGONIST; A DERIVATIVES OF ARYL-SUBSTITUTED AND ARYL (3-OXO-1-PROPENLY)-SUBSTITUTED BENZOPYRAN, BENZOTHIOPYRAN, 1,2-DIHYDROQUINOLINE; PREVENTING TOXICITY OR SIDE EFFECTS CAUSED BY RETINOIDS OR VITAMIN A ALLERGAN SALES, INC. (US) 1999-09-14 US disclosed
EP-0931786-A2 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities Vision Pharmaceuticals L.P. (US) 1999-07-28 EP disclosed
WO-1999033821-A1 BENZOPYRAN AND BENZOTHIOPYRAN DERIVATIVES HAVING RETINOID ANTAGONIST-LIKE ACTIVITY ALLERGAN SALES, INC. (US) 1999-07-08 WO disclosed
US-5877207-A SKIN DISORDERS; ANTICARCINOGENIC AGENTS ALLERGAN SALES, INC. (US) 1999-03-02 US disclosed
WO-1998058922-A1 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES ALLERGAN SALES, INC. (US) 1998-12-30 WO disclosed
EP-0853610-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES Allergan (US) 1998-07-22 EP disclosed
US-5776699-A MEASURING GENE EXPRESSION ALLERGAN, INC. (US) 1998-07-07 US disclosed
WO-1997009297-A2 SYNTHESIS AND USE OF RETINOID COMPOUNDS HAVING NEGATIVE HORMONE AND/OR ANTAGONIST ACTIVITIES VISION PHARMACEUTICALS L.P. (US) 1997-03-13 WO 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 (2 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-20030219832-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG MAPT 4726/4885ALDH1A1 200/4885KDM4E 3940/4885
US-20020156054-A1 Synthesis and use of retinoid compounds having negative hormone and/or antagonist activities RXRA, RARA, RXRG MAPT 4726/4885ALDH1A1 200/4885KDM4E 3940/4885

“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.