SCHEMBL21880004

SCHEMBL21880004

O=C(NC(Cc1ccc(O)cc1)c1ccc(O)cc1)C(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 9/20 0.60
▸ ESR2 Q92731 9/20 0.60
▸ ACE P12821 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ NCOA1 Q15788 1/20 0.41
▸ NCOA3 Q9Y6Q9 1/20 0.41
▸ SOAT1 P35610 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ SLC7A5 Q01650 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL7650354 0.86 ESR1 (0.44) ESR1ESR2SMN1; SMN2ALDH1A1HTT
SCHEMBL21959086 0.82 MEN1 (0.54) MEN1CYP1A2CYP2C19KMT2A
SCHEMBL8986819 0.79 ESR1 (0.54) ESR1ESR2ACE
SCHEMBL8986825 0.79 ESR1 (0.54) ESR1ESR2ACE
SCHEMBL11459400 0.78 ACE (0.63) ESR1ESR2ACESLC7A5
SCHEMBL11459401 0.78 ACE (0.63) ESR1ESR2ACESLC7A5
SCHEMBL5328241 0.76 SMN1; SMN2 (0.49) ESR1ESR2SMN1; SMN2ALDH1A1HTT
SCHEMBL28582286 0.75 MDM4 (0.58) ESR1ESR2ACEALDH1A1KMT2A
SCHEMBL28582287 0.75 MDM4 (0.58) ESR1ESR2ACEALDH1A1KMT2A
SCHEMBL10058428 0.75 ALDH1A1 (0.43) ESR1ESR2ALDH1A1HTTGAA

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 6 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
CN-112912363-B 1-phenyl-2-phenylethane derivatives 花王株式会社 2022-06-03 — — CN disclosed
US-20220009869-A1 1-PHENYL-2-PHENYLETHANE DERIVATIVE KAO CORPORATION (JP) 2022-01-13 — — US disclosed
CN-112912363-A 1-phenyl-2-phenylethane derivatives 花王株式会社 2021-06-04 — — CN disclosed
WO-2020085373-A1 1-PHENYL-2-PHENYLETHANE DERIVATIVE 花王株式会社 2020-04-30 — — WO 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 ESR1 3/4885ESR2 1/4885ACE 2944/4885
US-11453632-B2 1-phenyl-2-phenylethane derivative ESR2, GPER1, ESR1 ESR1 3/4885ESR2 1/4885ACE 2944/4885

“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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