SCHEMBL25015441

SCHEMBL25015441

CC(C)(C)c1c(O)cc(Cl)c(Cl)c1F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 8/20 0.41
TSHR P16473 7/20 0.41
HPGD P15428 6/20 0.41
CYP3A4 P08684 3/20 0.41
HSP90AA1 P07900 1/20 0.41
ALDH1A1 P00352 3/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
CASP1 P29466 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
ATP2A2 P16615 1/20 0.33
ATP2A3 Q93084 1/20 0.33
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
TP53 P04637 1/20 0.30
CYP2C9 P11712 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
SCHEMBL25015442 0.82 ALDH1A1 (0.40) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL25008862 0.81 HSD17B10 (0.52) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL9115158 0.77 HSD17B10 (0.46) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL6232540 0.75 HSD17B10 (0.44) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL24945814 0.73 ALDH1A1 (0.34) HSD17B10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL24069516 0.73 CYP3A4 (0.38) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL7682433 0.73 HSD17B10 (0.52) HSD17B10TSHRHPGDCYP3A4HSP90AA1
SCHEMBL22468667 0.72 ALDH1A1 (0.37) HSD17B10HPGDALDH1A1SMN1; SMN2KDM4E
SCHEMBL21792618 0.72 CYP3A4 (0.38) HSD17B10TSHRHPGDCYP3A4ALDH1A1
SCHEMBL23542368 0.71 HSD17B10 (0.39) HSD17B10TSHRHPGDCYP3A4HSP90AA1

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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC (US) 2023-01-26 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-20230023559-A1 ARYLMETHYLENE HETEROCYCLIC COMPOUNDS AS KV1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNH3 HSD17B10 715/4885TSHR 1969/4885HPGD 2590/4885

“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.