SCHEMBL7202221

SCHEMBL7202221

CCCCCOc1ccc2c(c1)C=C(C=O)CO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 6/20 0.56
MAOB P27338 3/20 0.40
MTNR1A P48039 3/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
MTNR1B P49286 1/20 0.39
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 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
SCHEMBL9729696 0.99 ALOX5 (0.58) ALOX5MAOBMTNR1ATHRATHRB
SCHEMBL9729572 0.82 ALOX5 (0.60) ALOX5MAOB
SCHEMBL8627404 0.80 MAOB (0.57) ALOX5MAOBMTNR1AKDM4EMEN1
SCHEMBL27463101 0.80 ALOX5 (0.55) ALOX5MAOBMTNR1ATHRATHRB
SCHEMBL7203574 0.79 ALOX5 (0.66) ALOX5MTNR1AMTNR1BNR5A1
SCHEMBL27461740 0.79 ALOX5 (0.54) ALOX5MTNR1ATHRATHRBMTNR1B
SCHEMBL7198793 0.79 ALOX5 (0.66) ALOX5MTNR1ATSHR
SCHEMBL7200474 0.79 ALOX5 (0.63) ALOX5MTNR1ATHRATHRB
SCHEMBL9729518 0.78 ALOX5 (0.59) ALOX5MAOBMEN1RAB9AKMT2A
Formamide SCHEMBL9729689 0.77 ALOX5 (0.63) ALOX5MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 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 (1 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 ALOX5 567/4885MAOB 126/4885MTNR1A 1/4885

“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.