SCHEMBL4258434

SCHEMBL4258434

C=CCSCCCSCC

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
TSHR P16473 2/20 0.39
ALDH1A1 P00352 3/20 0.36
TRPA1 O75762 2/20 0.36
CYP3A4 P08684 2/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36

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
SCHEMBL3479376 0.89 ALOX5 (0.62) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL4937028 0.84
SCHEMBL293786 0.82
SCHEMBL1977937 0.82
SCHEMBL3479153 0.80 ALOX5 (0.59) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL4157460 0.80 ALOX5 (0.59) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL3479692 0.80 ALOX5 (0.59) ALOX5SMN1; SMN2ALDH1A1TRPA1CYP3A4
SCHEMBL23034161 0.80 TSHR (0.48) ALOX5SMN1; SMN2TSHRALDH1A1TRPA1
SCHEMBL12231752 0.80 TSHR (0.48) ALOX5SMN1; SMN2TSHRALDH1A1TRPA1
SCHEMBL11519491 0.80 TSHR (0.48) ALOX5SMN1; SMN2TSHRALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALOX5 3358/4885SMN1; SMN2 4425/4885TSHR 4512/4885
US-20060229385-A1 9-Cyano-Substituted Perylene-3, 4-Dicarboxylic Monoimides CBR3, NR2C2, NR0B2 ALOX5 632/4885SMN1; SMN2 3831/4885TSHR 531/4885

“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.