SCHEMBL6814022

SCHEMBL6814022

COc1ccc2oc(C(=O)Nc3ccc(C#N)cc3C(=O)O)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.53
BCAT1 P54687 1/20 0.53
ALDH1A1 P00352 4/20 0.52
KDM4E B2RXH2 4/20 0.52
HPGD P15428 3/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA3 P07451 1/20 0.52
CA6 P23280 1/20 0.52
CA5A P35218 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
TAS1R3 Q7RTX0 4/20 0.50
TAS1R1 Q7RTX1 4/20 0.50
NPSR1 Q6W5P4 2/20 0.50
TSHR P16473 2/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL6924687 0.83 GALK1 (0.57) TP53BCAT1NPC1RAB9ASMN1; SMN2
SCHEMBL6359657 0.79 MAPT (0.70) TP53ALDH1A1KDM4EHPGDCA2
SCHEMBL6835786 0.79 LMNA (0.50) TP53ALDH1A1KDM4ECA2CA12
SCHEMBL6353430 0.78 MAPT (0.57) ALDH1A1KDM4EHPGDCA2TSHR
SCHEMBL6833112 0.78 KDM4E (0.57) TP53BCAT1ALDH1A1KDM4ENPSR1
SCHEMBL6349388 0.78 MAPT (0.52) ALDH1A1KDM4EHPGDCA2CA12
SCHEMBL6357140 0.77 MEN1 (0.60) ALDH1A1KDM4ECA2MAPTNPC1
SCHEMBL6832994 0.76 HIF1A (0.46) TP53ALDH1A1KDM4ECA2CA12
SCHEMBL6835702 0.75 MAPT (0.47) TP53ALDH1A1KDM4EHPGDCA2
SCHEMBL5866917 0.74 TP53 (0.74) TP53BCAT1ALDH1A1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040110802-A1 Antibacterial benzoic acid derivatives PHARMACIA & UPJOHN COMPANY 2004-06-10 US disclosed
WO-2004018428-A1 ANTIBACTERIAL BENZOIC ACID DERIVATIVES PHARMACIA & UPJOHN COMPANY LLC (US) 2004-03-04 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-20040110802-A1 Antibacterial benzoic acid derivatives GABRD, GABBR1, GABRA1 TP53 2331/4885BCAT1 197/4885ALDH1A1 170/4885

“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.