SCHEMBL26075894

SCHEMBL26075894

CNc1ccc(-c2ccc(-c3cc(C)c4cc(P)ccc4n3)cc2F)cc1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 7/20 0.37
▸ ESR2 Q92731 7/20 0.37
▸ ALDH1A1 P00352 3/20 0.35
▸ HPGD P15428 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ LMNA P02545 2/20 0.35
▸ HSP90AA1 P07900 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ APP P05067 9/20 0.34
▸ THRB P10828 2/20 0.34
▸ TOP1 P11387 1/20 0.33
▸ SNCA P37840 1/20 0.33
▸ GAA P10253 1/20 0.32

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
SCHEMBL26075318 0.88 APP (0.43) ESR1ESR2APP
SCHEMBL26075424 0.85 KIF11 (0.43) ESR1ESR2APPTOP1
SCHEMBL26075893 0.84 ESR1 (0.37) ESR1ESR2APPTOP1
SCHEMBL26075865 0.84 ACACA (0.46) ALDH1A1HPGDMAPTLMNAKDM4E
SCHEMBL26075891 0.82 DHODH (0.44) ESR1ESR2ALDH1A1HPGDKDM4E
SCHEMBL26075870 0.81 MAPT (0.38) ESR1ESR2ALDH1A1HPGDMAPT
SCHEMBL26075889 0.81 ESR1 (0.38) ESR1ESR2ALDH1A1HPGDMAPT
SCHEMBL26075879 0.81 ESR1 (0.35) ESR1ESR2ALDH1A1MAPTAPP
SCHEMBL26075885 0.81 HMOX1 (0.41) ESR1ESR2ALDH1A1HPGDMAPT
SCHEMBL26075867 0.80 PLA2G2A (0.42) ALDH1A1HPGDMAPTKDM4E

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 4530/4885ALDH1A1 88/4885

“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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