SCHEMBL21733790

SCHEMBL21733790

COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(C3CC(=O)CCC3C)c2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
HCRTR2 O43614 4/20 0.34
CACNA1S Q13698 8/20 0.34
HCRTR1 O43613 3/20 0.33
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
CYP26A1 O43174 1/20 0.32
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP27A1 Q02318 1/20 0.31
CYP24A1 Q07973 1/20 0.31

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
SCHEMBL21733848 0.87 CNR1 (0.32) HCRTR2HCRTR1CNR1CNR2POLB
SCHEMBL21733646 0.84 HCRTR1 (0.33) ALDH1A1HCRTR2HCRTR1CNR1CNR2
SCHEMBL21733765 0.84 HCRTR1 (0.33) ALDH1A1HCRTR2HCRTR1CNR1CNR2
SCHEMBL21733487 0.82 NR3C1 (0.34) ALDH1A1HCRTR2HCRTR1CNR1CNR2
SCHEMBL21733854 0.81 NR3C1 (0.37) MEN1ALDH1A1KMT2AHCRTR2HCRTR1
SCHEMBL21733489 0.80 TSPO (0.31) ALDH1A1HCRTR2HCRTR1CNR1CNR2
SCHEMBL21733856 0.79 CACNA1S (0.33) MEN1ALDH1A1GAAKMT2AHCRTR2
SCHEMBL26268592 0.79 ALDH1A1 (0.34) MEN1ALDH1A1GAAKMT2AHCRTR2
SCHEMBL21733808 0.78 TSPO (0.35) MEN1ALDH1A1KMT2AHCRTR2HCRTR1
SCHEMBL21733849 0.74 ALDH1A1 (0.34) MEN1ALDH1A1GAAKMT2APOLB

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 MEN1 2354/4885ALDH1A1 3678/4885GAA 2579/4885

“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.