SCHEMBL5010980

SCHEMBL5010980

C=CCc1cccc(CC=C)c1S

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.54
GABRB2 P47870 2/20 0.54
AKR1B1 P15121 1/20 0.41
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
MAPT P10636 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPK1 P28482 1/20 0.39
ALDH1A1 P00352 4/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
KDM4E B2RXH2 2/20 0.34
CASP1 P29466 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
ALOX12 P18054 1/20 0.33
POLB P06746 1/20 0.33
AURKA O14965 1/20 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
Benzene SCHEMBL7205309 0.87 GABRA1 (0.47) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL9269358 0.85 GABRA1 (0.55) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL7200585 0.80 GABRA1 (0.42) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL5824091 0.79 GABRA1 (0.58) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL5832429 0.79 FOLH1 (0.47) GABRA1GABRB2KMT2AMEN1MAPT
SCHEMBL29763626 0.78 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL173300 0.78 GABRA1 (0.56) GABRA1GABRB2AKR1B1KMT2AMEN1
SCHEMBL31201870 0.78 GABRA1 (0.47) GABRA1GABRB2AKR1B1ALDH1A1LMNA
SCHEMBL170049 0.78 GABRA1 (0.47) GABRA1GABRB2AKR1B1ALDH1A1LMNA
SCHEMBL2469944 0.78 GABRA1 (0.47) GABRA1GABRB2AKR1B1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2008-09-04 US disclosed
US-7375252-B2 Compounds and method for the inhibition of the expression of VCAM-1 ATHEROGENICS, INC. (US) 2008-05-20 US disclosed
US-7189870-B2 Compounds and methods for the inhibition of the expression of VCAM-1 ATHEROGENIC, INC. (US) 2007-03-13 US disclosed
EP-1726582-A2 Compounds and methods for the inhibition of the expression of vcam-1 Atherogenics, Inc. (US) 2006-11-29 EP disclosed
EP-1695959-A1 Compouds and methods for the inhibition of the expression of VCAM-1 Atherogenics, Inc. (US) 2006-08-30 EP disclosed
US-20050171028-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 ATHEROGENICS PHARMACEUTICALS, INC. 2005-08-04 US disclosed
US-20050090487-A1 Compounds and methods for the inhibition of the expression of VCAM-1 ATHEROGENICS, INC. 2005-04-28 US disclosed
US-6852878-B2 Thioketals and thioethers for inhibiting the expression of VCAM-1 ATHEROGENICS, INC. (US) 2005-02-08 US disclosed
EP-1468989-A2 Compounds and methods for the inhibition of the expression of VCAM-1 Atherogenics, Inc. (US) 2004-10-20 EP disclosed
EP-1464639-A1 Succinic acid ester of probucol for the inhibition of the expression of VCAM-1 Atherogenics, Inc. (US) 2004-10-06 EP disclosed
EP-1289944-A2 THIOKETALS AND THIOETHERS FOR INHIBITING THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2003-03-12 EP disclosed
US-20020193446-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-12-19 US disclosed
US-20020188118-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-12-12 US disclosed
US-20020177717-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-11-28 US disclosed
US-20020169215-A1 Compounds and methods for the inhibition of the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-11-14 US disclosed
US-20020016300-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 CRABTREE ACQUISITION CO, LLC 2002-02-07 US disclosed
WO-2001070757-A2 THIOKETALS AND THIOETHERS FOR INHIBITING THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 2001-09-27 WO disclosed
US-6147250-A TREATING DISEASES MEDIATED BY VASCULAR CELL ADHESION MOLECULE-1, INCLUDING CARDIOVASCULAR AND INFLAMMATORY DISEASES; SUCCINOBUCOL ATHEROGENICS, INC. (US) 2000-11-14 US disclosed
EP-0994853-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 Atherogenics, Inc. (US) 2000-04-26 EP disclosed
WO-1998051662-A2 COMPOUNDS AND METHODS FOR THE INHIBITION OF THE EXPRESSION OF VCAM-1 ATHEROGENICS, INC. (US) 1998-11-19 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 (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-20020169215-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL GABRA1 1428/4885GABRB2 1782/4885AKR1B1 1325/4885
US-20050171028-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 VCAM1, ICAM1, KCNT1 GABRA1 2224/4885GABRB2 3246/4885AKR1B1 308/4885
US-20020193446-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL GABRA1 1428/4885GABRB2 1782/4885AKR1B1 1325/4885
US-20080214660-A1 Compounds and Methods for the Inhibition of the Expression of VCAM-1 VCAM1, ICAM1, SELL GABRA1 1428/4885GABRB2 1782/4885AKR1B1 1325/4885
US-20020177717-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL GABRA1 1428/4885GABRB2 1782/4885AKR1B1 1325/4885
US-20020016300-A1 Thioketals and thioethers for inhibiting the expression of VCAM-1 VCAM1, ICAM1, KCNT1 GABRA1 2224/4885GABRB2 3246/4885AKR1B1 308/4885
US-20020188118-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL GABRA1 1428/4885GABRB2 1782/4885AKR1B1 1325/4885
US-20050090487-A1 Compounds and methods for the inhibition of the expression of VCAM-1 VCAM1, ICAM1, SELL GABRA1 1428/4885GABRB2 1782/4885AKR1B1 1325/4885

“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.