SCHEMBL26075901

SCHEMBL26075901

CCNCc1ccccc1-c1ccc(-c2cc(C)c3cc(P)ccc3n2)cc1F

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 2/20 0.36
▸ ESR2 Q92731 2/20 0.36
▸ ALOX5AP P20292 10/20 0.35
▸ FEN1 P39748 10/20 0.35
▸ POLB P06746 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ PDE3B Q13370 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ TP53 P04637 2/20 0.33
▸ PFKFB3 Q16875 1/20 0.33
▸ MOK Q9UQ07 1/20 0.33
▸ MAP3K8 P41279 1/20 0.33
▸ PDE10A Q9Y233 1/20 0.32

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
SCHEMBL26075892 0.84 S1PR1 (0.41) ESR1ESR2ALOX5APFEN1PDE3B
SCHEMBL26075875 0.80 PDE10A (0.44) ALOX5APFEN1PDE3ATP53PDE10A
SCHEMBL26075895 0.78 ALDH1A1 (0.40) ESR1ESR2ALOX5APFEN1POLB
SCHEMBL26075888 0.77 HMOX1 (0.43) ESR1ESR2KMT2ATP53PDE10A
SCHEMBL26075891 0.76 DHODH (0.44) ESR1ESR2FEN1KMT2A
SCHEMBL26075894 0.75 ESR1 (0.37) ESR1ESR2
SCHEMBL26075885 0.75 HMOX1 (0.41) ESR1ESR2KMT2ATP53
SCHEMBL26075333 0.74 DHODH (0.41) ESR1ESR2ALOX5APFEN1KMT2A
SCHEMBL26075137 0.73 DHODH (0.51) ESR1ESR2KMT2A
SCHEMBL26075865 0.73 ACACA (0.46) POLBKMT2A

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 4530/4885ALOX5AP 821/4885

“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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