SCHEMBL26075879

SCHEMBL26075879

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

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 6/20 0.35
▸ ESR2 Q92731 6/20 0.35
▸ ACP1 P24666 2/20 0.34
▸ ACACA Q13085 2/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ ALOX5AP P20292 1/20 0.34
▸ FEN1 P39748 1/20 0.34
▸ AURKA O14965 1/20 0.33
▸ AURKB Q96GD4 1/20 0.33
▸ TOP1 P11387 1/20 0.32
▸ NT5E P21589 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PLA2G2A P14555 1/20 0.31
▸ APP P05067 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
SCHEMBL26075282 0.89 DHODH (0.43) ESR1ESR2ACP1DHODHMEN1
SCHEMBL26075865 0.88 ACACA (0.46) ACP1ACACAAURKAAURKBNT5E
SCHEMBL26075380 0.86 APP (0.42) ACP1DHODHALOX5APFEN1TOP1
SCHEMBL26075891 0.86 DHODH (0.44) ESR1ESR2ACACADHODHFEN1
SCHEMBL26075885 0.85 HMOX1 (0.41) ESR1ESR2ACACAMEN1ALDH1A1
SCHEMBL26075870 0.85 MAPT (0.38) ESR1ESR2ACP1ACACAALOX5AP
SCHEMBL26075867 0.83 PLA2G2A (0.42) DHODHALDH1A1MAPTSMN1; SMN2PLA2G2A
SCHEMBL26075866 0.83 DHODH (0.43) ACACADHODHPLA2G2A
SCHEMBL26075897 0.82 SQOR (0.37) ESR1ESR2ACACADHODHAURKA
SCHEMBL26075893 0.81 ESR1 (0.37) ESR1ESR2TOP1APP

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 ESR1 4427/4885ESR2 4530/4885ACP1 2245/4885

“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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