SCHEMBL6325887

SCHEMBL6325887

COc1cc(Cl)cc(C(=O)Cl)c1O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 3/20 0.54
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
LMNA P02545 2/20 0.44
PKM P14618 2/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA3 P07451 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
CA5A P35218 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
CA5B Q9Y2D0 1/20 0.44
PTGS2 P35354 2/20 0.42
KCNMA1 Q12791 2/20 0.41
AKR1C4 P17516 1/20 0.40

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
SCHEMBL12316477 0.85 ERN1 (0.54) ERN1KDM4EALDH1A1GAALMNA
SCHEMBL4868587 0.85 AKR1C4 (0.58) ERN1KDM4EALDH1A1GAALMNA
SCHEMBL6331461 0.84 ERN1 (0.53) ERN1KDM4EALDH1A1GAALMNA
SCHEMBL12316453 0.84 ERN1 (0.53) ERN1KDM4EALDH1A1GAALMNA
SCHEMBL11179253 0.81 KDM4E (0.54) ERN1KDM4EALDH1A1LMNACYP3A4
SCHEMBL1541991 0.80 ERN1 (0.64) ERN1KDM4EALDH1A1GAALMNA
SCHEMBL29274101 0.76 KDM4E (0.44) KDM4EALDH1A1GAALMNAAKR1C4
SCHEMBL11519119 0.76 ERN1 (0.47) ERN1KDM4EALDH1A1GAALMNA
SCHEMBL1423874 0.76 FLT1 (0.55) ALDH1A1LMNAKCNMA1
SCHEMBL257135 0.76 LMNA (0.61) ALDH1A1GAALMNAKCNMA1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 BRISTOL-MYERS SQUIBB CO. 2005-06-09 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-20050124664-A1 Urea thiadiazole inhibitors of plasminogen activator inhibior-1 SERPINE1, SERPINC1, SERPINB1 ERN1 856/4885KDM4E 4669/4885ALDH1A1 155/4885

“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.