SCHEMBL20964369

SCHEMBL20964369

O=C1c2ccc3c4ncc5c6c(ccc(c7ncc(c2c37)C(=O)N1CCc1ccccc1)c64)C(O)N(CCc1ccccc1)C5=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1B1 Q16678 3/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ MAPT P10636 4/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ GAA P10253 2/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ POLB P06746 1/20 0.44
▸ TAAR1 Q96RJ0 1/20 0.44
▸ CASP3 P42574 1/20 0.39
▸ GRM5 P41594 1/20 0.36
▸ LMNA P02545 2/20 0.35
▸ RGS12 O14924 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ PDE10A Q9Y233 1/20 0.35

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
SCHEMBL22137470 0.88 MAPT (0.52) CYP1B1ALDH1A1RAB9AMAPTKDM4E
SCHEMBL20964368 0.86 ALDH1A1 (0.55) CYP1B1ALDH1A1RAB9AMAPTKDM4E
SCHEMBL24704063 0.84 ALDH1A1 (0.55) CYP1B1ALDH1A1RAB9AMAPTKDM4E
SCHEMBL24603666 0.83 ALDH1A1 (0.51) CYP1B1ALDH1A1RAB9AMAPTKDM4E
SCHEMBL24017161 0.80 MEN1 (0.38) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL24603782 0.80 CYP1B1 (0.56) CYP1B1ALDH1A1RAB9AMAPTKDM4E
SCHEMBL27071534 0.79 CYP1B1 (0.47) CYP1B1ALDH1A1RAB9AMAPTKDM4E
SCHEMBL24603682 0.78 TDP1 (0.47) CYP1B1ALDH1A1RAB9AMAPTKDM4E
SCHEMBL25548743 0.75 CA12 (0.43) CYP1B1ALDH1A1RAB9AMAPTKDM4E
SCHEMBL22605891 0.73 ALDH1A1 (0.33) ALDH1A1RAB9AMAPTKDM4ESMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025901-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND FUJIFILM CORPORATION (JP) 2024-01-25 — — US disclosed
US-20220213104-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND FUJIFILM CORPORATION (JP) 2022-07-07 — — US disclosed
US-20190131546-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, COMPOUND, ORGANIC THIN FILM TRANSISTOR-FORMING COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR FUJIFILM CORPORATION (JP) 2019-05-02 — — 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 (3 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-20190131546-A1 ORGANIC THIN FILM TRANSISTOR, ORGANIC SEMICONDUCTOR FILM, COMPOUND, ORGANIC THIN FILM TRANSISTOR-FORMING COMPOSITION, AND METHOD OF MANUFACTURING ORGANIC THIN FILM TRANSISTOR OSTC, FTO, PORCN CYP1B1 1086/4885ALDH1A1 3800/4885RAB9A 1825/4885
US-20240025901-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND INF2, NISCH, ITPA CYP1B1 206/4885ALDH1A1 2802/4885RAB9A 1706/4885
US-20220213104-A1 METHOD FOR PRODUCING CYCLIC IMIDE COMPOUND, COMPOSITION, AND COMPOUND INF2, NISCH, ITPA CYP1B1 206/4885ALDH1A1 2802/4885RAB9A 1706/4885

“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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