SCHEMBL21959086

SCHEMBL21959086

COc1ccc(CC(NC(=O)C(F)(F)F)c2ccc(OC)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.54
▸ KMT2A Q03164 1/20 0.54
▸ LDHA P00338 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.48
▸ CNR1 P21554 1/20 0.47
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2D6 P10635 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ UTS2R Q9UKP6 1/20 0.44

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
SCHEMBL1412207 0.83 ACACB (0.59) LDHA
SCHEMBL21880004 0.82 ESR1 (0.60) MEN1KMT2ACYP1A2CYP2C19
SCHEMBL7650354 0.81 ESR1 (0.44) MEN1KMT2A
SCHEMBL9634012 0.81 PKM (0.49) LDHA
SCHEMBL21959543 0.78 ESR1 (0.68) LDHANPSR1CYP1A2CYP2D6CYP2C19
SCHEMBL28884388 0.78 CNR1 (0.69) MEN1KMT2ANPSR1CNR1
SCHEMBL6677141 0.76 ACACB (0.52) LDHA
SCHEMBL6677138 0.76 ACACB (0.52) LDHA
SCHEMBL6541208 0.76 CNR1 (0.56) LDHACNR1
SCHEMBL9463780 0.74 LDHA (0.73) LDHA

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-11453632-B2 1-phenyl-2-phenylethane derivative KAO CORPORATION (JP) 2022-09-27 — — US disclosed
US-20220009869-A1 1-PHENYL-2-PHENYLETHANE DERIVATIVE KAO CORPORATION (JP) 2022-01-13 — — US disclosed
WO-2020085373-A1 1-PHENYL-2-PHENYLETHANE DERIVATIVE 花王株式会社 2020-04-30 — — WO 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 (2 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-20220009869-A1 1-PHENYL-2-PHENYLETHANE DERIVATIVE ESR2, GPER1, ESR1 MEN1 3654/4885KMT2A 419/4885LDHA 4622/4885
US-11453632-B2 1-phenyl-2-phenylethane derivative ESR2, GPER1, ESR1 MEN1 3654/4885KMT2A 419/4885LDHA 4622/4885

“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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