SCHEMBL14034814

SCHEMBL14034814

COc1cc(CNC(=O)CCCCc2ccccc2)ccc1O

nearest known ligand 0.93

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 10/20 0.93
▸ CYP1A2 P05177 4/20 0.72
▸ CYP3A4 P08684 4/20 0.72
▸ CYP2D6 P10635 3/20 0.72
▸ CYP2C9 P11712 3/20 0.72
▸ CYP2C19 P33261 3/20 0.72
▸ ALDH1A1 P00352 3/20 0.72
▸ BLM P54132 2/20 0.72
▸ PMP22 Q01453 2/20 0.72
▸ ALOX15 P16050 2/20 0.72
▸ HPGD P15428 1/20 0.72
▸ ALOX5 P09917 2/20 0.69
▸ MEN1 O00255 2/20 0.68
▸ KMT2A Q03164 2/20 0.68
▸ POLB P06746 1/20 0.68
▸ TSHR P16473 1/20 0.68
▸ NPSR1 Q6W5P4 1/20 0.68
▸ KDM1A O60341 1/20 0.64
▸ NR1I2 O75469 1/20 0.64
▸ LMNA P02545 1/20 0.64

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
SCHEMBL28949337 0.99 TRPV1 (0.91) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28718417 0.90 TRPV1 (0.77) TRPV1ALDH1A1HPGDKMT2A
SCHEMBL29160843 0.89 TRPV1 (0.75) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5348698 0.89 CYP1A2 (0.90) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3872410 0.85 TRPV1 (0.76) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31527869 0.85 CYP1A2 (0.79) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15259678 0.85 HPGD (0.97) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL27182843 0.85 CYP1A2 (0.79) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL28721686 0.85 ERCC1 (0.82) TRPV1ALOX15MEN1KMT2ALMNA
SCHEMBL29160842 0.85 TRPV1 (0.68) TRPV1CYP1A2CYP3A4CYP2D6CYP2C9

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-7446226-B2 Phenylhept-6-yne-acid-4-hydroxy-3-methoxylbenzylamide (phenylcapsaicin); use as microorganism repellent agents in paints and coatings, for marine installations and ships, but also for land-based structures; nontoxic AXIMED AS (NO) 2008-11-04 — — US disclosed
US-20070167524-A1 Capsaicin derivates and the production and use thereof AXICHEM AB (SE) 2007-07-19 — — 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-20070167524-A1 Capsaicin derivates and the production and use thereof TRPV1, TRPA1, TRPV2 TRPV1 1/4885CYP1A2 2935/4885CYP3A4 2303/4885

“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.

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