SCHEMBL7058830

SCHEMBL7058830

CCCC[Sn](CCCC)(CCCC)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
AR P10275 2/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
MAOB P27338 4/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
BCHE P06276 2/20 0.47
CHRNB2 P17787 1/20 0.47
CHRNB4 P30926 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
SCHEMBL5238958 0.81 LTA4H (0.66) LMNAARCYP1A2PTGS1SLC6A2
SCHEMBL29498709 0.80 PDGFRB (0.40) ARMAOBBCHECHRNB2CHRNB4
SCHEMBL510570 0.80 BCHE (0.49) LMNAARCYP1A2PTGS1SLC6A2
SCHEMBL1767709 0.80 NQO1 (0.54) L3MBTL1MAPTRAB9ASMN1; SMN2LTA4H
SCHEMBL1553970 0.80 FFAR1 (0.45) LMNAARCHRNB2CHRNA7CHRNA4
SCHEMBL508861 0.79 NPC1 (0.44) LMNAARCYP1A2PTGS1SLC6A2
SCHEMBL30539400 0.78 LTA4H (0.68) LMNAARCYP1A2PTGS1SLC6A2
Tetradecane SCHEMBL28375680 0.78 SLC6A2 (0.57) LMNAARCYP1A2PTGS1SLC6A2
SCHEMBL276811 0.77 LTA4H (0.38) PTGS2SMN1; SMN2LTA4H
SCHEMBL15923575 0.77 LTA4H (0.66) LMNAARCYP1A2PTGS1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718264-B1 BENZOCYCLOHEPTENE ACETIC ACIDS HOFFMANN LA ROCHE (CH) 2015-08-05 EP disclosed
EP-2718264-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F.HOFFMANN-LA ROCHE AG (CH) 2014-04-16 EP disclosed
WO-2014022377-A1 MEMBRANES AND COATINGS MADE FROM MIXTURES INCLUDING IONIC LIQUIDS HAVING SILICON-BONDED HYDROLYZABLE GROUPS DOW CORNING CORPORATION (US) 2014-02-06 WO disclosed
WO-2012168162-A1 BENZOCYCLOHEPTENE ACETIC ACIDS F. HOFFMANN-LA ROCHE AG (CH) 2012-12-13 WO disclosed
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS FIROOZNIA FARIBORZ (US) 2012-12-06 US disclosed
US-20030171345-A1 8Beta-substituted 11beta-aryl-estra-1,3,5,(10)-triene derivatives SCHERING AG (DE) 2003-09-11 US disclosed
WO-2003033516-A1 8β -SUBSTITUTED-11β -ARYL-ESTRA-1,3,5(10)-TRIENE DERIVATIVES SCHERING AKTIENGESELLSCHAFT (DE) 2003-04-24 WO disclosed
US-6319948-B2 PREVENTION AND/OR MINIMIZATION OF SURGICAL ADHESION FORMATION BY ADMINISTERING CERTAIN SUBSTITUTED (5,6)-DIHYDRONAPHTHALENYL COMPOUNDS BRISTOL-MYERS SQUIBB COMPANY 2001-11-20 US disclosed
US-20010003780-A1 Retinoid antagonists and uses thereof TRAMPOSCH KENNETH M (US) 2001-06-14 US disclosed
WO-1998046228-A1 RETINOID ANTAGONISTS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 1998-10-22 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 (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-20010003780-A1 Retinoid antagonists and uses thereof RARA, RARB, RARG LMNA 3210/4885AR 776/4885CYP1A2 1588/4885
US-20030171345-A1 8Beta-substituted 11beta-aryl-estra-1,3,5,(10)-triene derivatives CYP19A1, HSD17B11, GPER1 LMNA 228/4885AR 72/4885CYP1A2 65/4885
US-20120309796-A1 BENZOCYCLOHEPTENE ACETIC ACIDS ACAT2, ACAT1, CYP27A1 LMNA 3823/4885AR 498/4885CYP1A2 45/4885

“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.