SCHEMBL23260119

SCHEMBL23260119

Nc1cc(Cl)c(OF)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 5/20 0.50
▸ ALDH1A1 P00352 2/20 0.50
▸ THRB P10828 2/20 0.46
▸ TSHR P16473 2/20 0.40
▸ TP53 P04637 1/20 0.39
▸ CA1 P00915 2/20 0.36
▸ CA2 P00918 2/20 0.36
▸ GAA P10253 1/20 0.35
▸ ITGB2 P05107 1/20 0.33
▸ ICAM1 P05362 1/20 0.33
▸ ITGAL P20701 1/20 0.33
▸ CA9 Q16790 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HPGD P15428 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ CASP1 P29466 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PDE7A Q13946 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
SCHEMBL2101809 0.74 CYP3A4 (0.50) CYP3A4ALDH1A1THRBTSHRTP53
Hydrochloric Acid SCHEMBL2103697 0.72 CYP3A4 (0.48) CYP3A4ALDH1A1THRBTSHRTP53
SCHEMBL19922066 0.70 PTGS2 (0.42) CYP3A4ALDH1A1THRBTSHRTP53
Hydrochloric Acid SCHEMBL2103696 0.70 CYP3A4 (0.46) CYP3A4ALDH1A1THRBTSHRTP53
SCHEMBL10824314 0.69 CYP3A4 (0.58) CYP3A4ALDH1A1THRBTSHRTP53
SCHEMBL1029756 0.69 CYP3A4 (0.58) CYP3A4ALDH1A1THRBTSHRTP53
SCHEMBL9587803 0.69 CYP3A4 (0.39) CYP3A4ALDH1A1THRBTSHRTP53
SCHEMBL10730172 0.69 CYP3A4 (0.39) CYP3A4ALDH1A1THRBTSHRTP53
SCHEMBL14955914 0.69 ALDH1A1 (0.57) CYP3A4ALDH1A1THRBTSHRTP53
SCHEMBL10586056 0.69 CYP3A4 (0.44) CYP3A4ALDH1A1THRBTSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023154842-A1 THR BETA ANALOGS AND USES THEREOF MADRIGAL PHARMACEUTICALS, INC. (US) 2023-08-17 — — WO disclosed
US-20210115022-A1 THYROID HORMONE RECEPTOR AGONISTS AND USES THEREOF XIZANG HAISCO PHARMACEUTICAL CO., LTD. (CN) 2021-04-22 — — 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-20210115022-A1 THYROID HORMONE RECEPTOR AGONISTS AND USES THEREOF TSHR, THRA, TRHR CYP3A4 1863/4885ALDH1A1 2439/4885THRB 4/4885

“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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