SCHEMBL3010627

SCHEMBL3010627

CCCCCCCCc1nc(C=CC(=O)O)c[nH]1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATG4B Q9Y4P1 12/20 0.42
PLA2G1B P04054 10/20 0.42
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
CYP1A2 P05177 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
GPR84 Q9NQS5 4/20 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
SCHEMBL3007866 1.00 ATG4B (0.42) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL3008493 1.00 ATG4B (0.42) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL3008390 0.99 KDM4E (0.41) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL3010718 0.94 KDM4E (0.37) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL3001217 0.88 KDM4E (0.39) KDM4ENPC1ALDH1A1HPGDCASP3
SCHEMBL2998701 0.82 KDM4E (0.41) KDM4EALDH1A1RAB9ASMN1; SMN2
SCHEMBL651213 0.77 GPR84 (0.41) ALDH1A1HPGDGPR84
Hydrochloric Acid SCHEMBL12468552 0.76 GPR84 (0.40) ALDH1A1HPGDGPR84
SCHEMBL10766106 0.76 ALDH1A1 (0.41) ALDH1A1HPGDGPR84
SCHEMBL1082482 0.76 HCAR2 (0.50) CYP1A2TDP1KDM4EALDH1A1GPR84

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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES VALLETTA HEALTH IP EE B.V. (NL) 2010-08-05 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-20100197752-A1 UROCANIC ACID DERIVATIVES USEFUL FOR THE TREATMENT OF IMMUNE-RELATED AND INFLAMMATORY DISEASES UTS2R, UACA, HCAR1 ATG4B 4447/4885PLA2G1B 1679/4885THRA 2209/4885

“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.