SCHEMBL26075902

SCHEMBL26075902

CCOCCOc1ccc(-c2ccc(-c3cc(C)c4cc(P)ccc4n3)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 2/20 0.37
▸ PDE3B Q13370 1/20 0.36
▸ PDE3A Q14432 1/20 0.36
▸ P2RY12 Q9H244 1/20 0.36
▸ DHODH Q02127 1/20 0.36
▸ HMOX1 P09601 2/20 0.35
▸ PDE10A Q9Y233 1/20 0.35
▸ PLA2G2A P14555 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ CASP1 P29466 1/20 0.34
▸ CASP7 P55210 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ FFAR1 O14842 1/20 0.34
▸ FFAR4 Q5NUL3 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34

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
SCHEMBL26075866 0.92 DHODH (0.43) DHODHPDE10APLA2G2A
SCHEMBL26075867 0.92 PLA2G2A (0.42) DHODHHMOX1PDE10APLA2G2AALDH1A1
SCHEMBL26075885 0.92 HMOX1 (0.41) HMOX1ALDH1A1HSD17B10ESR1ESR2
SCHEMBL26075897 0.91 SQOR (0.37) DHODHPDE10APLA2G2AALDH1A1CASP1
SCHEMBL26075877 0.90 PLA2G2A (0.41) DHODHPDE10APLA2G2AALDH1A1RARA
SCHEMBL26075339 0.90 DHODH (0.39) NCF1PDE3BPDE3AP2RY12DHODH
SCHEMBL26075878 0.89 PLA2G2A (0.41) DHODHPDE10APLA2G2AALDH1A1RARB
SCHEMBL26075868 0.89 PLA2G2A (0.41) DHODHPDE10APLA2G2AALDH1A1RARB
SCHEMBL26075880 0.89 PLA2G2A (0.41) DHODHPDE10APLA2G2AALDH1A1RARB
SCHEMBL26075882 0.87 MAPT (0.39) DHODHPDE10APLA2G2AESR1ESR2

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 NCF1 1759/4885PDE3B 1781/4885PDE3A 1797/4885

“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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