SCHEMBL12802334

SCHEMBL12802334

CCCCCCCCC=CCCCCCCCC(=O)N(O)Cc1ccc(O)c(OC)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.66
CYP1A2 P05177 3/20 0.66
CYP3A4 P08684 3/20 0.66
CYP2D6 P10635 2/20 0.66
MAPT P10636 2/20 0.66
HPGD P15428 2/20 0.66
MEN1 O00255 1/20 0.66
TP53 P04637 1/20 0.66
MTOR P42345 1/20 0.66
KMT2A Q03164 1/20 0.66
HTR1A P08908 3/20 0.63
CYP2C8 P10632 2/20 0.61
CYP2C9 P11712 2/20 0.61
CYP2B6 P20813 2/20 0.61
CYP2C19 P33261 2/20 0.61
LTA4H P09960 2/20 0.61
CYP2E1 P05181 1/20 0.61
ALOX5 P09917 1/20 0.61
CYP2A6 P11509 1/20 0.61
ALDH1A1 P00352 1/20 0.59

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
SCHEMBL12802331 1.00 TRPV1 (0.66) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL16715940 0.89 TRPV1 (0.66) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL12802562 0.87 TRPV1 (0.64) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL28400947 0.83 CYP3A4 (0.65) TRPV1CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL28386231 0.83 CYP3A4 (0.65) TRPV1CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL7795393 0.82 CYP3A4 (0.64) TRPV1CYP1A2CYP3A4CYP2D6HPGD
SCHEMBL57333 0.81 TRPV1 (0.55) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL4558358 0.81 TRPV1 (0.55) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL5923227 0.80 TRPV1 (0.73) TRPV1CYP1A2CYP3A4CYP2D6MAPT
SCHEMBL5923219 0.80 TRPV1 (0.73) TRPV1CYP1A2CYP3A4CYP2D6MAPT

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 TRPV1 3/4885CYP1A2 1825/4885CYP3A4 1025/4885

“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.