SCHEMBL12802444

SCHEMBL12802444

CCCCCCON(Cc1ccc(O)c(OC)c1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
CYP2C8 P10632 1/20 0.55
CYP2B6 P20813 1/20 0.55
ALDH1A1 P00352 1/20 0.53
CYP2D6 P10635 1/20 0.53
HPGD P15428 1/20 0.53
ALOX15 P16050 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
HTR1A P08908 2/20 0.50
TRPV1 Q8NER1 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
SCHEMBL12802675 1.00 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL12802835 1.00 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL12802951 1.00 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL12803008 0.85 TSHR (0.54) CYP1A2CYP3A4ALDH1A1BLM
SCHEMBL12803112 0.81 CYP3A4 (0.45) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL11101082 0.81 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL11105252 0.81 CYP1A2 (0.57) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL2945289 0.79 TSHR (0.47) CYP3A4ALDH1A1
SCHEMBL12802673 0.79 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8
SCHEMBL12802565 0.79 CYP1A2 (0.55) CYP1A2CYP3A4CYP2C9CYP2C19CYP2C8

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-9422233-B2 Vanilloid fatty hydroxamates as therapeutic anti-inflammatory pharmaceuticals RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-08-23 US disclosed
US-20120252891-A1 Vanilloid Fatty Hydroxamates as Therapeutic Anti-inflammatory Pharmaceuticals UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-10-04 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-20120252891-A1 Vanilloid Fatty Hydroxamates as Therapeutic Anti-inflammatory Pharmaceuticals FAAH, FAAH2, TRPV1 CYP1A2 1825/4885CYP3A4 1025/4885CYP2C9 390/4885

“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.