SCHEMBL21733856

SCHEMBL21733856

COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(C3CC(=O)CCC3C)n2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1S Q13698 3/20 0.33
KMT2A Q03164 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
FABP4 P15090 2/20 0.32
CNR1 P21554 1/20 0.32
CNR2 P34972 1/20 0.32
FABP3 P05413 1/20 0.32
LMNA P02545 1/20 0.32
MAPT P10636 1/20 0.32
AR P10275 1/20 0.32
OXTR P30559 1/20 0.32
AVPR1A P37288 1/20 0.32
AVPR1B P47901 1/20 0.32
CYP26A1 O43174 1/20 0.32
HCRTR2 O43614 1/20 0.31
PDE10A Q9Y233 1/20 0.31
CYP27A1 Q02318 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
SCHEMBL21733855 0.85 LMNA (0.34) KMT2APOLBMEN1ALDH1A1CNR1
SCHEMBL21733785 0.84 KMT2A (0.32) KMT2APOLBALDH1A1FABP4CNR1
SCHEMBL24854598 0.82 MEN1 (0.33) KMT2APOLBMEN1ALDH1A1GAA
SCHEMBL21733664 0.79 LMNA (0.37) KMT2AMEN1ALDH1A1CNR1CNR2
SCHEMBL21733783 0.79 PDE10A (0.33) KMT2APOLBMEN1ALDH1A1CNR1
SCHEMBL21733790 0.79 MEN1 (0.35) CACNA1SKMT2APOLBMEN1ALDH1A1
SCHEMBL21734095 0.79 QPCT (0.35) CACNA1SKMT2APOLBMEN1ALDH1A1
SCHEMBL21733557 0.79 PDE10A (0.34) KMT2AMEN1ALDH1A1CNR1CNR2
SCHEMBL21733844 0.79 POLB (0.33) CACNA1SKMT2APOLBMEN1ALDH1A1
SCHEMBL21733471 0.78 ALDH1A1 (0.33) KMT2APOLBMEN1ALDH1A1FABP4

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
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 US disclosed
US-20230002345-A1 FUSED RING COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2023-01-05 US 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 (2 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 CACNA1S 4838/4885KMT2A 3557/4885POLB 2874/4885
US-20230002345-A1 FUSED RING COMPOUNDS KRAS, NRAS, HRAS CACNA1S 4838/4885KMT2A 3557/4885POLB 2874/4885

“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.