SCHEMBL13397928

SCHEMBL13397928

CN1C(=C2C(=O)CC(C)(C)CC2=O)Sc2cc(C(C)(C)C)ccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ NR1H3 Q13133 1/20 0.34
▸ WRN Q14191 1/20 0.33
▸ OPRM1 P35372 2/20 0.33
▸ CYP11B2 P19099 1/20 0.32
▸ SRC P12931 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NMBR P28336 1/20 0.31
▸ GAA P10253 2/20 0.30
▸ MAPT P10636 2/20 0.30
▸ MAPK13 O15264 1/20 0.30
▸ DAPK3 O43293 1/20 0.30
▸ ROCK2 O75116 1/20 0.30

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
SCHEMBL9136853 0.79 ALDH1A1 (0.63) ALDH1A1NPC1TP53CYP1A2CYP2C19
SCHEMBL13416946 0.76 ALDH1A1 (0.38) ALDH1A1NPC1TP53CYP1A2CYP2C19
SCHEMBL10133803 0.73 NOX1 (0.47) ALDH1A1MEN1KMT2ANR1H3GAA
SCHEMBL13232524 0.65 NOX1 (0.38) MEN1KMT2ANR1H3
SCHEMBL27071704 0.62 NR1H3 (0.40) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL12245376 0.62 TRIM24 (0.47) ALDH1A1MEN1KMT2ANR1H3GAA
SCHEMBL761237 0.62 CYP11B2 (0.50) TP53CYP1A2NR1H3CYP11B2
SCHEMBL10133811 0.61 NR1H3 (0.42) ALDH1A1TP53CYP1A2MEN1KMT2A
SCHEMBL19531695 0.61 MEN1 (0.48) TP53MEN1KMT2ANR1H3GAA
SCHEMBL18365082 0.61 KCNH2 (0.44) ALDH1A1NPC1TP53RAB9AMEN1

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-20100104985-A1 COMPOUND FOR PHOTORESIST, PHOTORESIST LIQUID, AND ETCHING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2010-04-29 — — 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-20100104985-A1 COMPOUND FOR PHOTORESIST, PHOTORESIST LIQUID, AND ETCHING METHOD USING THE SAME PYCR1, STK10, STK4 ALDH1A1 3885/4885NPC1 2237/4885TP53 859/4885

“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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