SCHEMBL24261200

SCHEMBL24261200

COc1cc(C)cc(CC(C)c2ccc(C(F)(F)F)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TACR1 P25103 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CASR P41180 5/20 0.39
▸ BACE1 P56817 1/20 0.38
▸ PDE2A O00408 3/20 0.38
▸ PTGS1 P23219 1/20 0.37
▸ GRIN2B Q13224 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ AKR1C2 P52895 1/20 0.36
▸ ABCB11 O95342 1/20 0.35
▸ MDM2 Q00987 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
SCHEMBL18828099 0.76 CA1 (0.46) TACR1MEN1KMT2A
SCHEMBL19117545 0.73 HTR2A (0.41) TACR1PDE2A
SCHEMBL19117627 0.73 HTR2A (0.41) TACR1PDE2A
SCHEMBL19998093 0.73 HTT (0.39) TACR1MEN1KMT2A
SCHEMBL15267204 0.72 TACR1 (0.45) TACR1KMT2A
SCHEMBL23511272 0.70 LMNA (0.38) MEN1KMT2A
SCHEMBL16906528 0.70 RXRA (0.50) PTGS1
SCHEMBL25510802 0.70 CALM1 (0.59) ABCB11
SCHEMBL24175717 0.69 ESR1 (0.42) MEN1KMT2ABACE1PDE2A
SCHEMBL257565 0.69 RXRA (0.43) PTGS1

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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor CORVUS PHARMACEUTICALS, INC. (US) 2022-02-22 — — 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-11254686-B1 Compounds and methods for modulating adenosine A2B receptor and adenosine A2A receptor ADORA2A, ADORA2B, ADORA3 TACR1 153/4885MEN1 4775/4885KMT2A 2461/4885

“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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