SCHEMBL21733720

SCHEMBL21733720

COc1ccc(CN(Cc2ccc(OC)cc2)c2ccc(C(F)(F)F)c(C3=CC(=O)CCC3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.35
FABP4 P15090 3/20 0.34
FABP3 P05413 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 2/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32

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
SCHEMBL21733792 0.83 LMNA (0.35) ALDH1A1MEN1KMT2AFABP4FABP3
SCHEMBL21733724 0.79 ALDH1A1 (0.35) ALDH1A1MEN1KMT2AGAATSHR
SCHEMBL21733481 0.78 ALDH1A1 (0.36) ALDH1A1MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL26694482 0.75 MEN1 (0.42) ALDH1A1MEN1KMT2AGAAFABP4
SCHEMBL24649338 0.74 LMNA (0.39) ALDH1A1MEN1KMT2AGAAFABP4
SCHEMBL1860490 0.74 PIK3CD (0.42) ALDH1A1MEN1KMT2AGAAFABP4
SCHEMBL30708362 0.74 PIK3CD (0.42) ALDH1A1MEN1KMT2AGAAFABP4
SCHEMBL1862955 0.71 LMNA (0.40) ALDH1A1MEN1KMT2AGAAFABP4
SCHEMBL21733856 0.71 CACNA1S (0.33) ALDH1A1MEN1KMT2AGAAFABP4
SCHEMBL26694500 0.70 APLNR (0.42) ALDH1A1MEN1KMT2AGAAFABP4

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-11760744-B2 Fused ring compounds GENENTECH, INC. (US) 2023-09-19 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 (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 3678/4885MEN1 2354/4885KMT2A 3557/4885

“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.