SCHEMBL21733838

SCHEMBL21733838

CCOC(=O)C1CC(C)C(c2c(F)c(N(Cc3ccc(OC)cc3)Cc3ccc(OC)cc3)cc(C)c2C(F)(F)F)CC1=O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.31
TSPO P30536 1/20 0.31
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
HCRTR2 O43614 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
SCHEMBL26268266 1.00 TP53 (0.32) TP53LTB4R2TSPOUSP2ALDH1A1
SCHEMBL21733627 0.93 TP53 (0.33) TP53LTB4R2ALDH1A1HCRTR2
SCHEMBL26269144 0.92 TP53 (0.31) TP53LTB4R2TSPOUSP2ALDH1A1
SCHEMBL28493072 0.91 TSPO (0.32) TSPOALDH1A1TSHR
SCHEMBL21733488 0.90 TP53 (0.33) TP53TSPOUSP2ALDH1A1TSHR
SCHEMBL21733767 0.89 TP53 (0.32) TP53TSPOUSP2ALDH1A1TSHR
SCHEMBL26268592 0.87 ALDH1A1 (0.34) TP53LTB4R2ALDH1A1TSHRHCRTR2
SCHEMBL21733660 0.83 HCRTR2 (0.32) TP53LTB4R2USP2ALDH1A1TSHR
SCHEMBL21733835 0.81 MAPT (0.37) ALDH1A1
SCHEMBL24854884 0.81 KDM4E (0.32) ALDH1A1

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 TP53 23/4885LTB4R2 3402/4885TSPO 2970/4885

“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.