SCHEMBL20220230

SCHEMBL20220230

Cc1cc(C)c(P)cc1F

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ DAO P14920 1/20 0.31

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
SCHEMBL19311682 0.89 GPR3 (0.32) GPR3ACHEDAO
SCHEMBL10147311 0.78 ACHE (0.40) GPR3ACHEDAO
SCHEMBL21675776 0.78 GPR3 (0.32) GPR3ACHEDAO
SCHEMBL18867947 0.76 CYP3A4 (0.40) GPR3ACHEDAO
SCHEMBL30166047 0.76 CYP3A4 (0.40) GPR3ACHEDAO
SCHEMBL1057045 0.76 CYP3A4 (0.40) GPR3ACHEDAO
SCHEMBL8963314 0.76 CYP3A4 (0.40) —
SCHEMBL261036 0.75 ACHE (0.42) GPR3ACHEDAO
SCHEMBL12955081 0.75 ESR1 (0.33) —
SCHEMBL25606228 0.72 CYP3A4 (0.35) —

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-20230304002-A1 TRANSTHYRETIN (TTR) iRNA COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATING OR PREVENTING TTR-ASSOCIATED OCULAR DISEASES BANK OF AMERICA, N.A. 2023-09-28 — — US disclosed
EP-2793578-B1 N-ARYLAMIDINE-SUBSTITUTED TRIFLUOROETHYLSULFIDE DERIVATIVES AS ACARICIDES AND INSECTICIDES BAYER CROPSCIENCE AG (DE) 2018-06-06 — — 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-20230304002-A1 TRANSTHYRETIN (TTR) iRNA COMPOSITIONS AND METHODS OF USE THEREOF FOR TREATING OR PREVENTING TTR-ASSOCIATED OCULAR DISEASES TTR, MTPN, CRYAA GPR3 4190/4885ACHE 3653/4885DAO 4486/4885

“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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