SCHEMBL21733767

SCHEMBL21733767

CCOC(=O)C1CC(C)C(c2c(F)c(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)cc(C)c2I)CC1=O

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.32
TSPO P30536 1/20 0.32
LMNA P02545 2/20 0.31
ALDH1A1 P00352 3/20 0.31
TSHR P16473 3/20 0.31
USP2 O75604 1/20 0.31
MAPK1 P28482 2/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL21733488 0.92 TP53 (0.33) TP53TSPOLMNAALDH1A1TSHR
SCHEMBL21733838 0.89 TP53 (0.32) TP53TSPOALDH1A1TSHRUSP2
SCHEMBL26268266 0.89 TP53 (0.32) TP53TSPOALDH1A1TSHRUSP2
SCHEMBL26268592 0.84 ALDH1A1 (0.34) TP53LMNAALDH1A1TSHRMAPK1
SCHEMBL21733627 0.82 TP53 (0.33) TP53LMNAALDH1A1SMN1; SMN2KDM4E
SCHEMBL26269144 0.80 TP53 (0.31) TP53TSPOALDH1A1TSHRUSP2
SCHEMBL28493072 0.80 TSPO (0.32) TSPOALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL21733489 0.80 TSPO (0.31) TSPOALDH1A1TSHRMAPK1SMN1; SMN2
SCHEMBL21733858 0.75 PDE10A (0.33) TP53LMNAALDH1A1TSHRUSP2
SCHEMBL21733814 0.75 ACHE (0.32) TSPO

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 TP53 23/4885TSPO 2970/4885LMNA 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.