SCHEMBL26501855

SCHEMBL26501855

CC(C)(C)c1c(O)ccc(C(F)F)c1Cl

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
ALOX15 P16050 2/20 0.32
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NR1I2 O75469 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
MIF P14174 1/20 0.31
TYR P14679 1/20 0.31
HTT P42858 1/20 0.31
NFE2L2 Q16236 1/20 0.31
CYP3A4 P08684 1/20 0.31
MAPK1 P28482 1/20 0.31

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
SCHEMBL9446147 0.79 CYP3A4 (0.44) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL23226967 0.76 CYP3A4 (0.33) ALDH1A1HPGDTDP1LMNACYP3A4
SCHEMBL24945815 0.76 DAO (0.35) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL26501860 0.76 CYP3A4 (0.34) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL24806431 0.75 CYP3A4 (0.52) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL7037132 0.75 ALDH1A1 (0.45) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL24946313 0.74 CSNK2A2 (0.38) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29295813 0.74 TSHR (0.39) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL24945808 0.74 ESR1 (0.39) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL26503324 0.73 LMNA (0.34) HPGDLMNATYRHTTCYP3A4

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
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 US disclosed
US-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS D. E. SHAW RESEARCH, LLC 2023-04-27 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-20230131535-A1 ARYLMETHYLENE AROMATIC COMPOUNDS AS Kv1.3 POTASSIUM SHAKER CHANNEL BLOCKERS KCNJ2, KCNA3, KCNK3 ALDH1A1 1717/4885ALOX15 4643/4885HSD17B10 893/4885

“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.