SCHEMBL26075896

SCHEMBL26075896

CCN(I)c1ccc(-c2ccc(-c3cc(C)c4cc(P)ccc4n3)cc2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 5/20 0.35
▸ ESR2 Q92731 5/20 0.35
▸ LATS1 O95835 1/20 0.31
▸ LATS2 Q9NRM7 1/20 0.31
▸ TOP1 P11387 1/20 0.31
▸ DHODH Q02127 1/20 0.30
▸ ALOX5AP P20292 1/20 0.30
▸ FEN1 P39748 1/20 0.30

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
SCHEMBL26075893 0.86 ESR1 (0.37) ESR1ESR2TOP1
SCHEMBL26075942 0.86 DHFR (0.39) ESR1ESR2ALOX5APFEN1
SCHEMBL26075885 0.81 HMOX1 (0.41) ESR1ESR2
SCHEMBL26075865 0.80 ACACA (0.46) —
SCHEMBL26075894 0.80 ESR1 (0.37) ESR1ESR2TOP1
SCHEMBL26075867 0.80 PLA2G2A (0.42) DHODH
SCHEMBL26075866 0.80 DHODH (0.43) DHODH
SCHEMBL26075889 0.79 ESR1 (0.38) ESR1ESR2TOP1DHODH
SCHEMBL26075902 0.78 NCF1 (0.37) ESR1ESR2DHODH
SCHEMBL26075891 0.78 DHODH (0.44) ESR1ESR2TOP1DHODHFEN1

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 4530/4885LATS1 4877/4885

“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.

Send feedback