SCHEMBL26075529

SCHEMBL26075529

CCOc1ccc(-c2ccc(-c3cc(CC)c4cc(F)ccc4n3)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.53
▸ ESR2 Q92731 2/20 0.53
▸ ESRRB O95718 1/20 0.53
▸ ESRRA P11474 1/20 0.53
▸ KDM4E B2RXH2 5/20 0.52
▸ RAB9A P51151 5/20 0.52
▸ NPC1 O15118 4/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.52
▸ LMNA P02545 4/20 0.52
▸ PLA2G2A P14555 1/20 0.50
▸ DHODH Q02127 5/20 0.49
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL26074746 0.94 ESR1 (0.50) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL26074761 0.91 NPC1 (0.47) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL26074769 0.91 CHRNA7 (0.47) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL26074739 0.91 CHRNA7 (0.44) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL26075536 0.90 PLA2G2A (0.53) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL26075534 0.90 PDE10A (0.54) ESR1ESR2ESRRBESRRAPLA2G2A
SCHEMBL26074127 0.90 ESR1 (0.48) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL26075545 0.90 DHODH (0.48) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL26075533 0.89 PLA2G2A (0.63) ESR1ESR2ESRRBESRRAKDM4E
SCHEMBL26075540 0.88 ESR1 (0.49) ESR1ESR2ESRRBESRRAKDM4E

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.

Send feedback