SCHEMBL31236721

SCHEMBL31236721

[2H]COc1c(Cl)cc(C(C)(C)c2ccc(O)cc2)cc1C#N

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 8/20 0.40
▸ ESR1 P03372 5/20 0.40
▸ ESR2 Q92731 5/20 0.40
▸ CYP3A4 P08684 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ HTR6 P50406 1/20 0.40
▸ ESRRG P62508 1/20 0.40
▸ SLC6A3 Q01959 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.30
▸ TYR P14679 1/20 0.30

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
SCHEMBL29579018 0.93 AR (0.40) ARESR1ESR2CYP3A4HPGD
SCHEMBL24481071 0.91 AR (0.43) ARESR1ESR2CYP3A4HPGD
SCHEMBL29579789 0.91 AR (0.43) ARESR1ESR2CYP3A4HPGD
SCHEMBL29580291 0.84 AR (0.43) ARESR1ESR2CYP3A4HPGD
SCHEMBL24480897 0.84 AR (0.43) ARESR1ESR2CYP3A4HPGD
SCHEMBL29447826 0.81 AR (0.54) ARESR1ESR2CYP3A4HPGD
SCHEMBL22468712 0.81 AR (0.49) ARESR1ESR2CYP3A4HPGD
SCHEMBL21854449 0.81 AR (0.54) ARESR1ESR2CYP3A4HPGD
SCHEMBL29448116 0.81 AR (0.49) ARESR1ESR2CYP3A4HPGD
SCHEMBL22468693 0.80 AR (0.48) ARESR1ESR2CYP3A4HPGD

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-20240383874-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. 2024-11-21 — — 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-20240383874-A1 BENZENE RING DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF AR, SF3B5, SF3B1 AR 1/4885ESR1 952/4885ESR2 670/4885

“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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