SCHEMBL26075323

SCHEMBL26075323

CCNc1ccc(-c2ccc(-c3cc(C=O)c4cc(F)ccc4n3)cc2F)cc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 3/20 0.38
▸ ESR2 Q92731 3/20 0.38
▸ DHODH Q02127 11/20 0.37
▸ PLA2G2A P14555 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ DHFR P00374 1/20 0.36
▸ ALKBH5 Q6P6C2 1/20 0.36
▸ ALOX5AP P20292 2/20 0.36
▸ FEN1 P39748 2/20 0.36
▸ PIM1 P11309 1/20 0.35
▸ PIM3 Q86V86 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
SCHEMBL26075435 0.91 ALDH1A1 (0.46) ESR1ESR2DHODHMEN1KMT2A
SCHEMBL26075321 0.90 ALDH1A1 (0.39) ESR1ESR2DHODHPLA2G2AMEN1
SCHEMBL26075573 0.89 DHODH (0.45) ESR1ESR2DHODHPLA2G2AMEN1
SCHEMBL26075138 0.88 DHODH (0.41) ESR1ESR2DHODHPLA2G2AMEN1
SCHEMBL26075334 0.85 PDE10A (0.39) ESR1ESR2DHODHMEN1KMT2A
SCHEMBL23590269 0.84 DHODH (0.56) ESR1ESR2DHODHPLA2G2AMEN1
SCHEMBL29997495 0.84 DHODH (0.56) ESR1ESR2DHODHPLA2G2AMEN1
SCHEMBL26075350 0.82 PLA2G2A (0.44) DHODHPLA2G2AMEN1KMT2AALDH1A1
SCHEMBL26075352 0.82 DHODH (0.45) DHODHPLA2G2A
SCHEMBL26075428 0.81 ALDH1A1 (0.49) ESR1ESR2DHODHMEN1KMT2A

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 4530/4885DHODH 1/4885

“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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