SCHEMBL30667289

SCHEMBL30667289

Cc1cc2c(C)cccc2[nH]c1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 5/20 0.71
DDO Q99489 4/20 0.71
BRD4 O60885 1/20 0.58
ATAD2 Q6PL18 1/20 0.51
CYP1A2 P05177 3/20 0.50
TNKS2 Q9H2K2 2/20 0.50
CYP2C19 P33261 1/20 0.50
KIF11 P52732 1/20 0.46
PARP1 P09874 2/20 0.45
KDM4E B2RXH2 2/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 1/20 0.45
TNKS O95271 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GPR3 P46089 1/20 0.45
BLM P54132 1/20 0.45
PMP22 Q01453 1/20 0.45
KMT2A Q03164 1/20 0.45
PARP15 Q460N3 1/20 0.45
HSD17B10 Q99714 1/20 0.45

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
SCHEMBL20247282 1.00 DAO (0.71) DAODDOBRD4ATAD2CYP1A2
SCHEMBL29471220 0.83 BRD4 (0.53) DAODDOBRD4ATAD2CYP1A2
SCHEMBL20940200 0.83 DAO (0.65) DAODDOBRD4ATAD2CYP1A2
SCHEMBL31139816 0.83 DAO (0.65) DAODDOBRD4CYP1A2TNKS2
SCHEMBL3423807 0.83 DAO (1.00) DAODDOBRD4CYP1A2TNKS2
SCHEMBL26551030 0.83 BRD4 (0.53) DAODDOBRD4ATAD2CYP1A2
SCHEMBL12970533 0.83 DAO (0.65) DAODDOBRD4ATAD2CYP1A2
SCHEMBL3423473 0.80 DAO (0.61) DAODDOBRD4CYP1A2TNKS2
SCHEMBL830278 0.80 DAO (0.61) DAODDOBRD4CYP1A2TNKS2
SCHEMBL12969925 0.80 ATM (0.64) DAODDOBRD4ATAD2TNKS2

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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS VERNALIS (R&D) LTD (GB) 2024-05-09 US disclosed
CN-116940552-A Spirocyclic hexane derivatives, pharmaceutical compositions containing them and their use as anti-apoptotic inhibitors 法国施维雅药厂 2023-10-24 CN 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-20240150293-A1 SPIROCYCLOHEXANE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THEIR USES AS ANTI-APOPTOTIC INHIBITORS BCL2, BAX, BCL2A1 DAO 4782/4885DDO 4157/4885BRD4 1406/4885

“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.