SCHEMBL29604667

SCHEMBL29604667

O=C1CCc2c(F)ccc(Br)c21

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.47
ALDH1A1 P00352 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
ABCC9 O60706 7/20 0.33
ABCC8 Q09428 7/20 0.33
KCNJ11 Q14654 7/20 0.33
KCNJ8 Q15842 7/20 0.33
PARP1 P09874 2/20 0.32
PTGS1 P23219 1/20 0.30
PTGS2 P35354 1/20 0.30
HSP90AA1 P07900 1/20 0.30
TLR9 Q9NR96 1/20 0.30
IL1RN P18510 1/20 0.30
ERAP2 Q6P179 1/20 0.30
ERAP1 Q9NZ08 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
SCHEMBL14430310 1.00 KDM4E (0.47) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL19584901 0.89 KDM4E (0.38) KDM4EALDH1A1ABCC9ABCC8KCNJ11
SCHEMBL12261417 0.84 KDM4E (0.56) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL20434223 0.83 KDM4E (0.63) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL783668 0.83 KDM4E (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL29605666 0.83 KDM4E (0.41) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL5763704 0.76 HSD17B1 (0.40) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14430376 0.76 PTGS1 (0.37) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL16555424 0.76 KDM4E (0.36) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL29435935 0.76 HSD17B1 (0.40) KDM4EALDH1A1GLAGAAHPGD

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-20260125359-A1 HETEROARYL COMPOUNDS AS MULTI-TARGET PROTEIN KINASE INHIBITORS FUJIAN HAIXI PHARMACEUTICALS CO LTD (CN) 2026-05-07 US disclosed
CN-109705191-B IAP inhibitors and their use in medicine 广东东阳光药业有限公司 2022-04-29 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-20260125359-A1 HETEROARYL COMPOUNDS AS MULTI-TARGET PROTEIN KINASE INHIBITORS ERBB2, ERBB3, ARRB1 KDM4E 3910/4885ALDH1A1 4063/4885GLA 2961/4885

“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.