SCHEMBL4256624

SCHEMBL4256624

CCC(C)c1[c]c(C(C)CC)cc(C(C)CC)[c]1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL145537 0.76 ALDH1A1 (0.38) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL15067853 0.71 USP2 (0.35) USP2ALDH1A1GAAPKMHPGD
SCHEMBL5050251 0.69 USP2 (0.33) USP2ALDH1A1GAAPKMHPGD
SCHEMBL184762 0.68 TSHR (0.41) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL249427 0.64 TSHR (0.38) TSHR
SCHEMBL8074869 0.62 TSHR (0.36) TSHR
SCHEMBL11683236 0.62 TSHR (0.50) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL11686432 0.62 ALDH1A1 (0.46) TSHRUSP2ALDH1A1GAAPKM
SCHEMBL2696941 0.61 TSHR (0.35) TSHR
SCHEMBL2776672 0.61 TSHR (0.35) TSHR

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
EP-1542975-B1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF SE (DE) 2016-03-09 EP disclosed
US-7550606-B2 9-cyano-substituted perylene-3,4-dicarboxylic acid monoimides BASF AKTIENGESELLSCHAFT (DE) 2009-06-23 US disclosed
US-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2009-01-22 US disclosed
US-7446198-B2 9-Cyano-substituted perylene-3, 4-dicarboxylic monoimides BASF AKTIENGESELLSCHAFT (DE) 2008-11-04 US disclosed
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides BASF AKTIENGESELLSCHAFT (DE) 2006-10-12 US disclosed
EP-1542975-A2 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES BASF AKTIENGESELLSCHAFT (DE) 2005-06-22 EP disclosed
WO-2004029028-A2 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES AS DYESTUFFS BASF AKTIENGESELLSCHAFT (DE) 2004-04-08 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-20090023937-A1 9-CYANO-SUBSTITUTED PERYLENE-3,4-DICARBOXYLIC ACID MONOIMIDES CA9, F9, CA13 TSHR 4512/4885USP2 2209/4885ALDH1A1 1588/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 TSHR 531/4885USP2 2831/4885ALDH1A1 3964/4885

“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.