SCHEMBL29630882

SCHEMBL29630882

CC(=O)OCc1ccc(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GBA1 P04062 1/20 0.40
MCHR1 Q99705 2/20 0.38
RAB9A P51151 5/20 0.38
NPC1 O15118 2/20 0.37
MAOB P27338 1/20 0.37
MAPT P10636 2/20 0.37
CA2 P00918 1/20 0.37
TSHR P16473 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36

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
SCHEMBL1063890 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EGBA1MCHR1RAB9A
SCHEMBL23515097 0.83 ALDH1A1 (0.40) ALDH1A1KDM4EGBA1MCHR1RAB9A
SCHEMBL17674283 0.83 KDM4E (0.42) ALDH1A1KDM4EGBA1MCHR1RAB9A
SCHEMBL7410889 0.82 ESR1 (0.45) ALDH1A1RAB9ANPC1CA2
SCHEMBL20168330 0.82 HDAC1 (0.50) ALDH1A1KDM4EGBA1MCHR1RAB9A
SCHEMBL3060324 0.81 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ANPC1MAOB
SCHEMBL11016027 0.81 ALDH1A1 (0.52) ALDH1A1MCHR1RAB9ANPC1MAPT
SCHEMBL11386635 0.79 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1CA2TSHR
SCHEMBL25302669 0.79 ALDH1A1 (0.43) ALDH1A1KDM4ERAB9ANPC1SIRT2
SCHEMBL23497624 0.79 ALDH1A1 (0.36) ALDH1A1KDM4EGBA1MCHR1RAB9A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240360133-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE JIANGSU HENGRUI PHARMACEUTICALS CO., LTD. (CN) 2024-10-31 US disclosed
EP-4253387-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE Jiangsu Hengrui Pharmaceuticals Co., Ltd. (CN) 2023-10-04 EP disclosed
EP-4073062-A1 FUNCTIONALIZED HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-10-19 EP disclosed
EP-4073063-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF STIMULATOR OF INTERFERON GENES (STING) Ryvu Therapeutics S.A. (PL) 2022-10-19 EP disclosed
WO-2022111636-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE 江苏恒瑞医药股份有限公司 2022-06-02 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-20240360133-A1 FUSED TRICYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF IN MEDICINE TLR7, TLR8, TLR9 ALDH1A1 2214/4885KDM4E 2622/4885GBA1 418/4885

“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.