SCHEMBL26075380

SCHEMBL26075380

Cc1cc(-c2ccc(-c3ccc(OC(C)(C)C)cc3)c(F)c2)nc2ccc(C(F)(F)F)cc12

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ APP P05067 1/20 0.42
▸ ACP1 P24666 3/20 0.39
▸ FEN1 P39748 11/20 0.39
▸ ALOX5AP P20292 10/20 0.39
▸ DHODH Q02127 1/20 0.37
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ MCHR1 Q99705 1/20 0.35
▸ TOP1 P11387 1/20 0.35

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
SCHEMBL26075335 0.89 ACP1 (0.50) APPACP1FEN1ALOX5APNT5E
SCHEMBL26075282 0.88 DHODH (0.43) ACP1DHODH
SCHEMBL26075920 0.88 ACP1 (0.44) ACP1FEN1ALOX5APDHODHTOP1
SCHEMBL26075292 0.87 FEN1 (0.41) ACP1FEN1ALOX5APMCHR1
SCHEMBL26075367 0.87 FEN1 (0.43) ACP1FEN1ALOX5APAKR1C3AKR1C2
SCHEMBL26075879 0.86 ESR1 (0.35) APPACP1FEN1ALOX5APDHODH
SCHEMBL23590140 0.86 DHODH (0.55) APPFEN1ALOX5APDHODH
SCHEMBL26075375 0.84 FEN1 (0.41) ACP1FEN1ALOX5APAKR1C3AKR1C2
SCHEMBL26075950 0.84 FEN1 (0.39) ACP1FEN1ALOX5APNT5EMCHR1
SCHEMBL26075424 0.84 KIF11 (0.43) APPACP1FEN1ALOX5APDHODH

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-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT OHIO STATE INNOVATION FOUNDATION (US) 2023-09-28 — — 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-20230303710-A1 METHODS AND COMPOSITIONS FOR INHIBITION OF DIHYDROOROTATE DEHYDROGENASE IN COMBINATION WITH AN ANTI-CD38 THERAPEUTIC AGENT DHODH, CD38, DPYD APP 1602/4885ACP1 2245/4885FEN1 3899/4885

“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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