SCHEMBL7200474

SCHEMBL7200474

CCCCCOc1ccc2c(c1)C=C(CBr)CO2

nearest known ligand 0.63

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.63
MTNR1A P48039 2/20 0.46
LTA4H P09960 1/20 0.39
PTPN1 P18031 1/20 0.39
ALOX12 P18054 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38

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
SCHEMBL27445498 0.90 ALOX5 (0.61) ALOX5MTNR1ALTA4HPTPN1ALOX12
SCHEMBL7203574 0.87 ALOX5 (0.66) ALOX5MTNR1AALOX12PTGS1PTGS2
SCHEMBL7198793 0.87 ALOX5 (0.66) ALOX5MTNR1AALOX12PTGS1PTGS2
SCHEMBL9730115 0.83 ALOX5 (0.64) ALOX5MTNR1AALOX12
SCHEMBL7202165 0.81 MTNR1A (0.62) ALOX5MTNR1AALOX12PTGS1PTGS2
SCHEMBL27463101 0.81 ALOX5 (0.55) ALOX5MTNR1ALTA4HTHRATHRB
SCHEMBL7199698 0.80 MTNR1A (0.72) ALOX5MTNR1AALOX12
SCHEMBL27445499 0.80 ALOX5 (0.53) ALOX5MTNR1ALTA4HPTPN1THRA
SCHEMBL7204127 0.79 MTNR1A (0.77) ALOX5MTNR1AALOX12
SCHEMBL7202221 0.79 ALOX5 (0.56) ALOX5MTNR1ATHRATHRB

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 5 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
EP-0998471-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 2000-05-10 EP disclosed
WO-1998052935-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS, METHOD FOR PREPARING AND COMPOSITIONS CONTAINING SAME ADIR ET COMPAGNIE (FR) 1998-11-26 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 (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 567/4885MTNR1A 1/4885LTA4H 1440/4885

“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.