SCHEMBL26075635

SCHEMBL26075635

CCCCOc1ccc(-c2ccc(-c3cc(CC)c4cc(C)ccc4n3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 3/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ESRRB O95718 1/20 0.42
▸ ESR1 P03372 1/20 0.42
▸ ESRRA P11474 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ CYP19A1 P11511 3/20 0.41
▸ CYP2C9 P11712 3/20 0.41
▸ CYP2C19 P33261 3/20 0.41
▸ CYP2D6 P10635 3/20 0.41
▸ CYP3A4 P08684 2/20 0.41
▸ DHODH Q02127 2/20 0.41
▸ PDE10A Q9Y233 1/20 0.40

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
SCHEMBL26075644 0.98 PLA2G2A (0.43) PLA2G2AKDM4EALDH1A1HPGDNPC1
SCHEMBL26075648 0.97 KDM4E (0.44) PLA2G2AKDM4EALDH1A1HPGDNPC1
SCHEMBL26075645 0.97 KDM4E (0.44) PLA2G2AKDM4EALDH1A1HPGDNPC1
SCHEMBL26075636 0.97 KDM4E (0.44) PLA2G2AKDM4EALDH1A1HPGDNPC1
SCHEMBL26075633 0.96 DHODH (0.45) PLA2G2ASMN1; SMN2ESRRBESR1ESRRA
SCHEMBL26075665 0.92 ESRRB (0.40) PLA2G2AMAPTESRRBESR1ESRRA
SCHEMBL26075631 0.91 ESR1 (0.43) KDM4EALDH1A1HPGDNPC1RAB9A
SCHEMBL26075649 0.90 ESRRB (0.39) PLA2G2AESRRBESR1ESRRAESR2
SCHEMBL26075632 0.89 MAPT (0.48) PLA2G2AKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL26075646 0.86 ESR1 (0.41) KDM4EALDH1A1HPGDMAPTL3MBTL1

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 PLA2G2A 1679/4885KDM4E 1396/4885ALDH1A1 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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