SCHEMBL20992201

SCHEMBL20992201

CC(C)c1noc2cc(C(F)(F)F)ccc12

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 9/20 0.52
▸ HTR3A P46098 1/20 0.41
▸ GRM4 Q14833 1/20 0.39
▸ MLYCD O95822 1/20 0.39
▸ PPARG P37231 2/20 0.38
▸ PPARD Q03181 2/20 0.38
▸ PPARA Q07869 2/20 0.38
▸ KIF11 P52732 1/20 0.36
▸ PDE2A O00408 2/20 0.35
▸ RAB9A P51151 1/20 0.35

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
SCHEMBL25597049 0.85 GRM4 (0.40) EPHX2GRM4MLYCDPPARGPPARD
SCHEMBL12589297 0.78 GRM4 (0.41) HTR3AGRM4
SCHEMBL12646428 0.78 EPHX2 (0.56) EPHX2HTR3AKIF11
SCHEMBL21649228 0.76 GRM4 (0.42) GRM4KIF11RAB9A
SCHEMBL12589320 0.75 ESR1 (0.53) —
SCHEMBL12589280 0.75 KMT2A (0.46) HTR3AGRM4RAB9A
SCHEMBL28078490 0.75 GRM4 (0.41) GRM4RAB9A
SCHEMBL18302280 0.75 EPHX2 (0.56) EPHX2HTR3AKIF11
SCHEMBL18611866 0.74 EPHX2 (0.52) EPHX2HTR3AGRM4MLYCDPPARG
SCHEMBL85415 0.70 CA12 (0.41) EPHX2GRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders ACHILLION PHARMACEUTICALS, INC. (US) 2019-05-14 — — 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-10287301-B2 Aryl, heteroaryl, and heterocyclic compounds for treatment of medical disorders CFD, F12, F3 EPHX2 834/4885HTR3A 492/4885GRM4 4774/4885

“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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