SCHEMBL26075895

SCHEMBL26075895

CCNc1cccc(-c2ccc(-c3cc(C)c4cc(P)ccc4n3)cc2F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.40
▸ THRB P10828 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ HSP90AA1 P07900 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ MAP4K4 O95819 1/20 0.34
▸ ALOX5AP P20292 5/20 0.33
▸ FEN1 P39748 5/20 0.33
▸ MAPT P10636 2/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ TOP1 P11387 1/20 0.32
▸ ABCG2 Q9UNQ0 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
SCHEMBL26075320 0.90 ALDH1A1 (0.41) ALDH1A1THRBLMNAHSP90AA1HPGD
SCHEMBL26075427 0.87 LMNA (0.39) ALDH1A1THRBLMNAHSP90AA1HPGD
SCHEMBL26075876 0.82 PTGS2 (0.45) ALDH1A1LMNAHPGDNPSR1GAA
SCHEMBL26075428 0.81 ALDH1A1 (0.49) ALDH1A1THRBLMNAHSP90AA1HPGD
SCHEMBL26075890 0.80 ESR1 (0.38) ALDH1A1THRBLMNAHPGDGAA
SCHEMBL26075894 0.80 ESR1 (0.37) ALDH1A1THRBLMNAHSP90AA1HPGD
SCHEMBL26075321 0.80 ALDH1A1 (0.39) ALDH1A1THRBLMNAHSP90AA1HPGD
SCHEMBL26075138 0.79 DHODH (0.41) ALDH1A1THRBHPGDMEN1KMT2A
SCHEMBL26075885 0.78 HMOX1 (0.41) ALDH1A1LMNAHPGDGAAMEN1
SCHEMBL23590336 0.77 DHODH (0.57) ALDH1A1GAAMEN1NPC1KMT2A

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 ALDH1A1 88/4885THRB 4763/4885LMNA 1972/4885

“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.

Send feedback