SCHEMBL8340063

SCHEMBL8340063

Cc1ccc2cc(O)c(C)c(O)c2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 2/20 0.43
▸ CYP2A6 P11509 4/20 0.42
▸ CYP1A2 P05177 4/20 0.42
▸ DAO P14920 2/20 0.42
▸ DDO Q99489 1/20 0.42
▸ TP53 P04637 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ACHE P22303 1/20 0.41
▸ LDHA P00338 1/20 0.41
▸ LDHB P07195 1/20 0.41
▸ HSD17B10 Q99714 3/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ ALOX15 P16050 2/20 0.39
▸ TRPM4 Q8TD43 1/20 0.39
▸ LMNA P02545 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ESR1 P03372 1/20 0.38
▸ ESR2 Q92731 1/20 0.38

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
SCHEMBL19202200 0.85 TRPA1 (0.44) TRPA1CYP2A6CYP1A2DAODDO
SCHEMBL30277948 0.83 CYP1A2 (0.45) TRPA1CYP2A6CYP1A2DAODDO
SCHEMBL13021181 0.83 CYP1A2 (0.45) TRPA1CYP2A6CYP1A2DAODDO
SCHEMBL5676618 0.78 TRPA1 (0.52) TRPA1CYP2A6CYP1A2DAODDO
SCHEMBL28664564 0.78 TRPA1 (0.52) TRPA1CYP2A6CYP1A2DAODDO
SCHEMBL30159693 0.78 TRPA1 (0.52) TRPA1CYP2A6CYP1A2DAODDO
SCHEMBL23686781 0.77 ACHE (0.44) CYP2A6CYP1A2TP53TDP1ACHE
SCHEMBL15847007 0.77 TRPM4 (0.45) TRPA1CYP2A6CYP1A2DAODDO
SCHEMBL9233004 0.77 TRPM4 (0.61) CYP2A6CYP1A2HSD17B10ALDH1A1TRPM4
SCHEMBL29771816 0.77 TRPM4 (0.61) CYP2A6CYP1A2HSD17B10ALDH1A1TRPM4

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
US-20210230170-A1 KRAS G12C INHIBITORS Mirati Therapeutics, Inc. 2021-07-29 — — US disclosed
WO-2004014384-A2 CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 — — WO disclosed
EP-0415422-A2 Method for forming images FUJI PHOTO FILM CO., LTD. (JP) 1991-03-06 — — EP 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-20210230170-A1 KRAS G12C INHIBITORS KRAS, NRAS, HRAS TRPA1 4579/4885CYP2A6 3884/4885CYP1A2 4681/4885

“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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