SCHEMBL459815

SCHEMBL459815

OC[C@H](O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.46
SCN9A Q15858 2/20 0.40
CES2 O00748 2/20 0.40
TACR1 P25103 5/20 0.37
IDO1 P14902 3/20 0.37
PDE2A O00408 1/20 0.37
TDO2 P48775 1/20 0.37
GRIN2B Q13224 1/20 0.35
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34

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
SCHEMBL264592 1.00 PNMT (0.46) PNMTSCN9ACES2TACR1IDO1
SCHEMBL6484095 1.00 PNMT (0.46) PNMTSCN9ACES2TACR1IDO1
SCHEMBL29256555 0.88 PNMT (0.41) PNMTSCN9ACES2PDE2AGRIN2B
SCHEMBL30988810 0.88 PNMT (0.41) PNMTSCN9ACES2PDE2AGRIN2B
SCHEMBL29256557 0.88 PNMT (0.41) PNMTSCN9ACES2PDE2AGRIN2B
SCHEMBL25920947 0.84 PNMT (0.47) PNMTCES2TACR1IDO1PDE2A
SCHEMBL2394599 0.81 PDE2A (0.51) PNMTCES2TACR1IDO1PDE2A
SCHEMBL7787286 0.81 PNMT (0.49) PNMTCES2TACR1IDO1PDE2A
SCHEMBL5610427 0.81 PDE2A (0.51) PNMTCES2TACR1IDO1PDE2A
SCHEMBL531699 0.81 PNMT (0.68) PNMTCES2TACR1IDO1TDO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118340754-B Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2025-03-11 CN disclosed
US-20250065315-A1 IRON COMPLEXES FOR ENANTIOSELECTIVE CIS DIHYDROXYLATION OF ALKENES Laboratory for Synthetic Chemistry and Chemical Biology Limited (CN) 2025-02-27 US disclosed
EP-4491270-A1 IRON COMPLEXES FOR ENANTIOSELECTIVE CIS DIHYDROXYLATION OF ALKENES The University of Hong Kong (HK) 2025-01-15 EP disclosed
CN-119306769-A Iron complexes for enantioselective cis dihydroxylation of olefins 香港大学 2025-01-14 CN disclosed
CN-118340754-A Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2024-07-16 CN 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-20250065315-A1 IRON COMPLEXES FOR ENANTIOSELECTIVE CIS DIHYDROXYLATION OF ALKENES SQLE, NFE2L2, FECH PNMT 1065/4885SCN9A 3683/4885CES2 1626/4885

“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.