SCHEMBL26075540

SCHEMBL26075540

CCc1cc(-c2ccc(-c3ccc(OCC(C)C)cc3)cc2)nc2ccc(F)cc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.49
▸ ESR2 Q92731 2/20 0.49
▸ ESRRB O95718 1/20 0.49
▸ ESRRA P11474 1/20 0.49
▸ PLA2G2A P14555 2/20 0.47
▸ XDH P47989 1/20 0.46
▸ DHODH Q02127 7/20 0.46
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ HTT P42858 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ TP53 P04637 2/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ FFAR4 Q5NUL3 1/20 0.40
▸ MEN1 O00255 1/20 0.39

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
SCHEMBL26075529 0.88 ESR1 (0.53) ESR1ESR2ESRRBESRRAPLA2G2A
SCHEMBL26075538 0.86 ESR1 (0.51) ESR1ESR2ESRRBESRRAPLA2G2A
SCHEMBL26075534 0.86 PDE10A (0.54) ESR1ESR2ESRRBESRRAPLA2G2A
SCHEMBL26075536 0.86 PLA2G2A (0.53) ESR1ESR2ESRRBESRRAPLA2G2A
SCHEMBL26075533 0.84 PLA2G2A (0.63) ESR1ESR2ESRRBESRRAPLA2G2A
SCHEMBL23590081 0.84 DHODH (0.67) PLA2G2ADHODHNPC1RAB9ASMN1; SMN2
SCHEMBL29617669 0.84 DHODH (0.67) PLA2G2ADHODHNPC1RAB9ASMN1; SMN2
SCHEMBL26075544 0.84 PLA2G2A (0.51) ESR1ESR2ESRRBESRRAPLA2G2A
SCHEMBL26074112 0.84 PLA2G2A (0.49) ESR1ESR2ESRRBESRRAPLA2G2A
SCHEMBL26075537 0.83 PLA2G2A (0.50) ESR1ESR2ESRRBESRRAPLA2G2A

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 4530/4885ESRRB 4671/4885

“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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