SCHEMBL21775909

SCHEMBL21775909

C#CCOc1c(C)cc(C(c2ccc(C)cc2)c2cc(C)c(OCC#C)c(C)c2)cc1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
CASR P41180 1/20 0.33
GSTP1 P09211 1/20 0.31
SCN4A P35499 2/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL23627366 0.88 MAOA (0.33) MAOAMAOBKDM4EALDH1A1GLA
SCHEMBL9918889 0.78 MAOA (0.35) MAOAMAOBKDM4EALDH1A1GLA
SCHEMBL24337163 0.77 MAOA (0.39) MAOAMAOBKDM4EALDH1A1GLA
SCHEMBL21775772 0.76 HTR1A (0.40) KDM4EALDH1A1GAASCN4AL3MBTL1
SCHEMBL21775788 0.75 ALDH1A1 (0.33) KDM4EALDH1A1GAASCN4A
SCHEMBL21775754 0.73 ALDH1A1 (0.43) ALDH1A1GLAGAATSHR
SCHEMBL15747178 0.70 SCN4A (0.47) MAOAMAOBKDM4EALDH1A1TSHR
SCHEMBL21775766 0.70 SCN8A (0.39) KDM4EALDH1A1GAAL3MBTL1
SCHEMBL21774682 0.69 PPARA (0.32) GAA
SCHEMBL21775757 0.69 CNR1 (0.42) KDM4EALDH1A1GAATSHRL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210206901-A1 COMPOUND, COMPOSITION CONTAINING THE SAME, METHOD FOR FORMING RESIST PATTERN AND METHOD FOR FORMING INSULATING FILM MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2021-07-08 US disclosed
WO-2020040161-A1 COMPOUND, COMPOSITION CONTAINING SAME, METHOD FOR FORMING RESIST PATTERN, AND METHOD FOR FORMING INSULATING FILM 三菱瓦斯化学株式会社 2020-02-27 WO 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-20210206901-A1 COMPOUND, COMPOSITION CONTAINING THE SAME, METHOD FOR FORMING RESIST PATTERN AND METHOD FOR FORMING INSULATING FILM BMI1, PRDM9, CTCF MAOA 461/4885MAOB 176/4885KDM4E 584/4885

“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.