SCHEMBL26075385

SCHEMBL26075385

COCc1cccc(-c2ccc(-c3cc(C)c4cc(C(F)(F)F)ccc4n3)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FEN1 P39748 6/20 0.39
▸ ALOX5AP P20292 5/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ AGXT P21549 1/20 0.38
▸ ACP1 P24666 3/20 0.37
▸ ESR1 P03372 1/20 0.36
▸ ESR2 Q92731 1/20 0.36
▸ DHODH Q02127 3/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ MRGPRX4 Q96LA9 1/20 0.35
▸ MITF O75030 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
SCHEMBL26075399 0.90 FEN1 (0.39) FEN1ALOX5APACP1ESR1ESR2
SCHEMBL26075305 0.88 DHODH (0.41) ESR1ESR2DHODH
SCHEMBL26075601 0.88 AGXT (0.47) PTGS2AGXTACP1DHODHLMNA
SCHEMBL23590133 0.87 DHODH (0.45) FEN1ALOX5APESR1ESR2DHODH
SCHEMBL26075890 0.87 ESR1 (0.38) ESR1ESR2DHODHLMNAMAPT
SCHEMBL26075395 0.84 ACP1 (0.39) FEN1ALOX5APACP1ESR1ESR2
SCHEMBL26075379 0.83 PTGS2 (0.44) FEN1ALOX5APPTGS2LMNAMAPT
SCHEMBL26075427 0.81 LMNA (0.39) FEN1ALOX5APACP1DHODHLMNA
SCHEMBL26075335 0.81 ACP1 (0.50) FEN1ALOX5APACP1LMNAMAPT
SCHEMBL26075950 0.80 FEN1 (0.39) FEN1ALOX5APACP1

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 FEN1 3899/4885ALOX5AP 821/4885PTGS2 2496/4885

“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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