SCHEMBL26073784

SCHEMBL26073784

CCCCOc1cccc(-c2ccc(-c3cc(C)c4cc(F)ccc4n3)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 5/20 0.52
▸ PLA2G2A P14555 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2C9 P11712 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ CYP19A1 P11511 1/20 0.44
▸ KDM4E B2RXH2 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ ALOX12 P18054 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ GAA P10253 1/20 0.42

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
SCHEMBL26075176 0.91 DHODH (0.47) DHODHPLA2G2ACYP1A2CYP2C9CYP2C19
SCHEMBL26075191 0.90 DHODH (0.51) DHODHPLA2G2ACYP1A2CYP2C9CYP2C19
SCHEMBL26075135 0.89 DHODH (0.50) DHODHPLA2G2ACYP1A2CYP2C9CYP2C19
SCHEMBL26075147 0.88 DHODH (0.45) DHODHPLA2G2ACYP1A2CYP2C9CYP2C19
SCHEMBL26074014 0.88 PLA2G2A (0.48) DHODHPLA2G2ACYP1A2CYP2C9CYP2C19
SCHEMBL26075197 0.87 DHODH (0.44) DHODHPLA2G2ACYP1A2CYP2C9CYP2C19
SCHEMBL23576326 0.86 DHODH (0.70) DHODHPLA2G2ACYP1A2CYP2C19KDM4E
SCHEMBL29918673 0.86 DHODH (0.70) DHODHPLA2G2ACYP1A2CYP2C19KDM4E
SCHEMBL26075146 0.85 DHODH (0.46) DHODHCYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL26076029 0.84 DHODH (0.59) DHODHPLA2G2AKDM4EALDH1A1MAPT

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 DHODH 1/4885PLA2G2A 1679/4885CYP1A2 909/4885

“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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