SCHEMBL26075871

SCHEMBL26075871

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ XDH P47989 1/20 0.38
▸ DHODH Q02127 2/20 0.36
▸ TARBP2 Q15633 1/20 0.35
▸ ESR1 P03372 2/20 0.34
▸ ESR2 Q92731 2/20 0.34
▸ S1PR1 P21453 1/20 0.34
▸ ACACA Q13085 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ MDM2 Q00987 1/20 0.33
▸ MCL1 Q07820 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ TP53 P04637 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL26075882 0.90 MAPT (0.39) ALOX5APFEN1DHODHESR1ESR2
SCHEMBL26075265 0.90 ALOX5AP (0.40) ALOX5APFEN1XDHDHODHTARBP2
SCHEMBL26075885 0.89 HMOX1 (0.41) ESR1ESR2ACACAMAPTNPC1
SCHEMBL26075866 0.87 DHODH (0.43) DHODHACACA
SCHEMBL26075867 0.87 PLA2G2A (0.42) XDHDHODHMAPTNPC1RAB9A
SCHEMBL26075870 0.87 MAPT (0.38) ALOX5APFEN1ESR1ESR2ACACA
SCHEMBL26075375 0.86 FEN1 (0.41) ALOX5APFEN1XDH
SCHEMBL26075897 0.86 SQOR (0.37) DHODHESR1ESR2ACACA
SCHEMBL26075865 0.85 ACACA (0.46) ACACAMAPTNPC1HTTRAB9A
SCHEMBL26075902 0.85 NCF1 (0.37) DHODHESR1ESR2NPC1RAB9A

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 ALOX5AP 821/4885FEN1 3899/4885XDH 34/4885

“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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