SCHEMBL26075891

SCHEMBL26075891

Cc1cc(-c2ccc(-c3ccc(Oc4ccccc4)cc3)c(F)c2)nc2ccc(P)cc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 8/20 0.44
▸ ESR1 P03372 1/20 0.41
▸ ESR2 Q92731 1/20 0.41
▸ ACACA Q13085 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ AURKA O14965 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ PTGES O14684 1/20 0.37
▸ TOP1 P11387 1/20 0.37
▸ BTK Q06187 1/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ GSTP1 P09211 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
SCHEMBL26075308 0.90 DHODH (0.55) DHODHESR1ESR2ACACAKDM4E
SCHEMBL26075865 0.89 ACACA (0.46) ACACAKDM4EALDH1A1HPGDAURKA
SCHEMBL26075870 0.86 MAPT (0.38) ESR1ESR2ACACAKDM4EALDH1A1
SCHEMBL26075879 0.86 ESR1 (0.35) DHODHESR1ESR2ACACAALDH1A1
SCHEMBL26075885 0.86 HMOX1 (0.41) ESR1ESR2ACACAKDM4EALDH1A1
SCHEMBL26075920 0.85 ACP1 (0.44) DHODHESR1ESR2ACACAKDM4E
SCHEMBL26075866 0.84 DHODH (0.43) DHODHACACA
SCHEMBL26075867 0.84 PLA2G2A (0.42) DHODHKDM4EALDH1A1HPGD
SCHEMBL26075897 0.83 SQOR (0.37) DHODHESR1ESR2ACACAALDH1A1
SCHEMBL26075894 0.82 ESR1 (0.37) ESR1ESR2KDM4EALDH1A1HPGD

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 DHODH 1/4885ESR1 4427/4885ESR2 4530/4885

“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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