SCHEMBL21733455

SCHEMBL21733455

CCOC(=O)C1CCC(c2nc(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)cc3ccccc23)=CC1=O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
TSPO P30536 1/20 0.34
CDC25B P30305 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
OPRM1 P35372 1/20 0.33

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
SCHEMBL21733539 0.85 ALDH1A1 (0.34) ALDH1A1TSHRLMNAMAPTTP53
SCHEMBL21733724 0.82 ALDH1A1 (0.35) ALDH1A1TSHRLMNAMAPTTP53
SCHEMBL21733481 0.79 ALDH1A1 (0.36) ALDH1A1TSHRLMNAMAPTKDM4E
SCHEMBL21733482 0.78 TRPM8 (0.41) ALDH1A1TSHRLMNAMAPTTP53
SCHEMBL21733453 0.72 HCRTR2 (0.33) ALDH1A1TSHRLMNATP53KDM4E
SCHEMBL21733733 0.70 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMAPTKDM4E
SCHEMBL30776128 0.70 ALDH1A1 (0.43) ALDH1A1TSHRLMNAMAPTKDM4E
SCHEMBL29200748 0.69 MEN1 (0.49) ALDH1A1TSHRLMNAMAPTKMT2A
SCHEMBL30803652 0.69 MEN1 (0.49) ALDH1A1TSHRLMNAMAPTKMT2A
SCHEMBL21733480 0.67 MEN1 (0.44) ALDH1A1TSHRLMNAMAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112119075-B Condensed ring compound 豪夫迈·罗氏有限公司 2024-03-12 CN disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
CN-112119075-A Fused ring compound 豪夫迈·罗氏有限公司 2020-12-22 CN disclosed
WO-2020035031-A1 FUSED RING COMPOUNDS GENENTECH, INC. (US) 2020-02-20 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-11760744-B2 Fused ring compounds KRAS, NRAS, HRAS ALDH1A1 3678/4885TSHR 3363/4885LMNA 3608/4885

“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.