SCHEMBL26075302

SCHEMBL26075302

COCc1ccc(-c2ccc(-c3cc(C)c4cc(F)ccc4n3)cc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 15/20 0.42
▸ ESR1 P03372 2/20 0.39
▸ ESR2 Q92731 2/20 0.39
▸ PLA2G2A P14555 1/20 0.39
▸ DHFR P00374 1/20 0.38
▸ ALKBH5 Q6P6C2 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ FFAR4 Q5NUL3 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
SCHEMBL26075305 0.89 DHODH (0.41) DHODHESR1ESR2PLA2G2AMEN1
SCHEMBL26075889 0.89 ESR1 (0.38) DHODHESR1ESR2MEN1KMT2A
SCHEMBL26074069 0.88 DHODH (0.49) DHODHESR1ESR2PLA2G2AMEN1
SCHEMBL26075399 0.87 FEN1 (0.39) DHODHESR1ESR2
SCHEMBL26073767 0.85 DHODH (0.56) DHODHESR1ESR2PLA2G2AMEN1
SCHEMBL26075230 0.85 PLA2G2A (0.54) DHODHPLA2G2AMEN1KMT2A
SCHEMBL26075136 0.85 ESR1 (0.50) DHODHESR1ESR2DHFRALKBH5
SCHEMBL26075310 0.84 DHODH (0.42) DHODHESR1ESR2PLA2G2ADHFR
SCHEMBL26075327 0.84 SQOR (0.42) DHODHPLA2G2AMEN1KMT2A
SCHEMBL26075308 0.82 DHODH (0.55) DHODHESR1ESR2PLA2G2ADHFR

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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