SCHEMBL5387798

SCHEMBL5387798

c1ccc(CPC2CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CALM1 P0DP23 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ ACHE P22303 1/20 0.36

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
SCHEMBL5389775 0.93 CALM1 (0.40) TRPA1ALDH1A1TSHRCALM1
SCHEMBL5380744 0.93 POLB (0.40) TRPA1ALDH1A1TSHRHRH3GBA1
SCHEMBL5389563 0.91 EPHX2 (0.41) TRPA1ALDH1A1TSHR
SCHEMBL5391568 0.91 EPHX2 (0.41) TRPA1ALDH1A1TSHR
SCHEMBL5388404 0.91 EPHX2 (0.41) TRPA1ALDH1A1TSHR
SCHEMBL5390687 0.91 EPHX2 (0.41) TRPA1ALDH1A1TSHR
SCHEMBL5396283 0.91 EPHX2 (0.41) TRPA1ALDH1A1TSHR
SCHEMBL5392351 0.91 EPHX2 (0.41) TRPA1ALDH1A1TSHR
SCHEMBL5401663 0.76 HRH3 (0.45) ALDH1A1HRH3
SCHEMBL5391966 0.72 OPRM1 (0.44) HRH3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020150396-A1 RECOMBINANT LUBRICINS, AND COMPOSITIONS AND METHODS FOR USING THE SAME CORNELL UNIVERSITY (US) 2020-07-23 — — WO disclosed
US-7214747-B2 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-08 — — US disclosed
US-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization EXXONMOBIL CHEMICAL PATENTS INC. 2005-10-27 — — 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-20050239980-A1 Phosphorus substituted metallocene compounds for olefin polymerization CCRL2, ARL1, OSBP2 TRPA1 644/4885ALDH1A1 4248/4885TSHR 2600/4885

“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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