SCHEMBL26075645

SCHEMBL26075645

CCCCCCOc1ccc(-c2ccc(-c3cc(CC)c4cc(C)ccc4n3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.44
▸ ALDH1A1 P00352 4/20 0.44
▸ HPGD P15428 3/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ RARB P10826 3/20 0.43
▸ PLA2G2A P14555 3/20 0.42
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PLK1 P53350 3/20 0.41
▸ ESRRB O95718 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESRRA P11474 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ DHODH Q02127 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP19A1 P11511 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
SCHEMBL26075648 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL26075636 1.00 KDM4E (0.44) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL26075644 0.99 PLA2G2A (0.43) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL26075635 0.97 PLA2G2A (0.44) KDM4EALDH1A1HPGDL3MBTL1HTT
SCHEMBL26075633 0.93 DHODH (0.45) PLA2G2ASMN1; SMN2ESRRBESR1ESRRA
SCHEMBL26075665 0.89 ESRRB (0.40) MAPTPLA2G2AESRRBESR1ESRRA
SCHEMBL26075631 0.88 ESR1 (0.43) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL26075649 0.87 ESRRB (0.39) RARBPLA2G2AESRRBESR1ESRRA
SCHEMBL26075632 0.86 MAPT (0.48) KDM4EALDH1A1HPGDL3MBTL1MAPT
SCHEMBL26075641 0.83 ESR1 (0.41) KDM4EALDH1A1HPGDL3MBTL1MAPT

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 KDM4E 1396/4885ALDH1A1 88/4885HPGD 43/4885

“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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