SCHEMBL21733487

SCHEMBL21733487

COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C)c(C3CC(=O)CCC3C)c2F)cc1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSPO P30536 1/20 0.32
HCRTR1 O43613 4/20 0.31
HCRTR2 O43614 4/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
MAPT P10636 2/20 0.31
LMNA P02545 1/20 0.31
PDE10A Q9Y233 1/20 0.31
POLB P06746 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
APLNR P35414 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
SCHEMBL21733489 0.91 TSPO (0.31) NR3C1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL21733646 0.89 HCRTR1 (0.33) NR3C1ALDH1A1TSPOHCRTR1HCRTR2
SCHEMBL21733765 0.89 HCRTR1 (0.33) NR3C1ALDH1A1TSPOHCRTR1HCRTR2
SCHEMBL21733808 0.84 TSPO (0.35) NR3C1ALDH1A1TSPOHCRTR1HCRTR2
SCHEMBL21733848 0.83 CNR1 (0.32) NR3C1HCRTR1HCRTR2CNR1CNR2
SCHEMBL21733790 0.82 MEN1 (0.35) ALDH1A1HCRTR1HCRTR2CNR1CNR2
SCHEMBL21733814 0.80 ACHE (0.32) NR3C1TSPOCNR1CNR2PDE10A
SCHEMBL21733854 0.79 NR3C1 (0.37) NR3C1ALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL21733488 0.79 TP53 (0.33) ALDH1A1TSHRMAPK1SMN1; SMN2TSPO
SCHEMBL21733823 0.78 HCRTR1 (0.32) HCRTR1HCRTR2CNR1CNR2PDE10A

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 NR3C1 1398/4885ALDH1A1 3678/4885TSHR 3363/4885

“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.