SCHEMBL12803111

SCHEMBL12803111

CCCCC(CC)COC(=O)N(O)Cc1ccc(O)c(OC)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 5/20 0.45
▸ CYP2C8 P10632 4/20 0.45
▸ CYP2C9 P11712 4/20 0.45
▸ CYP2B6 P20813 4/20 0.45
▸ CYP2C19 P33261 4/20 0.45
▸ CYP1A2 P05177 3/20 0.45
▸ LTA4H P09960 2/20 0.45
▸ TRPV1 Q8NER1 1/20 0.45
▸ HTR1A P08908 3/20 0.45
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2A6 P11509 2/20 0.44
▸ CYP2E1 P05181 1/20 0.44
▸ CA2 P00918 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44

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
SCHEMBL490869 0.81 LMNA (0.48) LMNACYP3A4CYP2C8CYP2C9CYP2B6
SCHEMBL12802565 0.81 CYP1A2 (0.55) CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL12802949 0.81 CYP1A2 (0.55) CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL12802442 0.81 CYP1A2 (0.55) CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL12802673 0.81 CYP1A2 (0.55) CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL12803112 0.81 CYP3A4 (0.45) CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL490646 0.81 CYP3A4 (0.58) CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL11232181 0.78 ALDH1A1 (0.66) LMNACYP3A4CYP1A2CA2ALDH1A1
SCHEMBL12802309 0.77 HTR1A (0.58) CYP3A4CYP2C8CYP2C9CYP2B6CYP2C19
SCHEMBL490645 0.77 LMNA (0.50) LMNACYP3A4CA2ALDH1A1

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 LMNA 3730/4885CYP3A4 1025/4885CYP2C8 864/4885

“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.

Send feedback