SCHEMBL763288

SCHEMBL763288

CCCCOc1cc(C(=O)OC)cc(-c2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.56
PLA2G2A P14555 2/20 0.56
ADORA1 P30542 2/20 0.47
ADORA3 P0DMS8 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
ALPL P05186 1/20 0.46

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
SCHEMBL733458 0.84 HPGD (0.58) LTB4RKDM4EALDH1A1
SCHEMBL28493223 0.83 ALDH1A1 (0.70) LTB4RPLA2G2AADORA1ADORA3KDM4E
SCHEMBL28490522 0.81 TSHR (0.57) PLA2G2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL762872 0.78 ALDH1A1 (0.49) KDM4EALDH1A1ALPL
SCHEMBL28496947 0.76 ALDH1A1 (0.52) PLA2G2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL19330120 0.76 KDM4E (0.72) PLA2G2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL762838 0.75 MAPT (0.55) PLA2G2AALPL
SCHEMBL7110386 0.74 LTB4R (0.68) LTB4R
SCHEMBL732748 0.74 KDM4E (0.51) PLA2G2AADORA1ADORA3KDM4EALDH1A1
SCHEMBL731626 0.74 SDHB (0.47) LTB4RPLA2G2AADORA1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112048734-B Regioselective electrochemical synthesis method of nitrogen-containing aromatic heterocyclic carboxylic ester 四川大学 2022-06-10 CN disclosed
CN-112048734-A Regioselective electrochemical synthesis method of nitrogen-containing aromatic heterocyclic carboxylic acid 四川大学 2020-12-08 CN disclosed
EP-2120569-B1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME (US) 2013-08-14 EP disclosed
US-8138197-B2 Spirochromanon derivatives MSD K.K. (JP) 2012-03-20 US disclosed
US-20090270436-A1 SPIROCHROMANON DERIVATIVES MERCK SHARP & DOHME LLC 2009-10-29 US disclosed
WO-2008088692-A2 SPIROCHROMANON DERIVATIVES MERCK & CO., INC. (US) 2008-07-24 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-20090270436-A1 SPIROCHROMANON DERIVATIVES AKR1C3, CBR3, AKR1C4 LTB4R 1240/4885PLA2G2A 4546/4885ADORA1 308/4885

“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.