SCHEMBL26075665

SCHEMBL26075665

CCc1cc(-c2ccc(-c3ccc(OCCOC)cc3)cn2)nc2ccc(C)cc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ESRRB O95718 1/20 0.40
▸ ESR1 P03372 1/20 0.40
▸ ESRRA P11474 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ APP P05067 2/20 0.39
▸ PLA2G2A P14555 3/20 0.39
▸ CBFB Q13951 2/20 0.39
▸ MCL1 Q07820 1/20 0.39
▸ MAPT P10636 3/20 0.39
▸ BRAF P15056 1/20 0.38
▸ DHODH Q02127 3/20 0.38
▸ ACHE P22303 2/20 0.38
▸ CHEK2 O96017 1/20 0.38
▸ PDE10A Q9Y233 1/20 0.37

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
SCHEMBL26075633 0.92 DHODH (0.45) ESRRBESR1ESRRAESR2PLA2G2A
SCHEMBL26075635 0.92 PLA2G2A (0.44) ESRRBESR1ESRRAESR2PLA2G2A
SCHEMBL26075644 0.90 PLA2G2A (0.43) ESRRBESR1ESRRAESR2PLA2G2A
SCHEMBL26075631 0.89 ESR1 (0.43) ESRRBESR1ESRRAESR2MAPT
SCHEMBL26075632 0.89 MAPT (0.48) ESRRBESR1ESRRAESR2PLA2G2A
SCHEMBL26075648 0.89 KDM4E (0.44) ESRRBESR1ESRRAESR2PLA2G2A
SCHEMBL26075636 0.89 KDM4E (0.44) ESRRBESR1ESRRAESR2PLA2G2A
SCHEMBL26075645 0.89 KDM4E (0.44) ESRRBESR1ESRRAESR2PLA2G2A
SCHEMBL26075649 0.88 ESRRB (0.39) ESRRBESR1ESRRAESR2PLA2G2A
SCHEMBL26075641 0.84 ESR1 (0.41) ESRRBESR1ESRRAESR2MCL1

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 ESRRB 4671/4885ESR1 4427/4885ESRRA 4655/4885

“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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