SCHEMBL9608614

SCHEMBL9608614

CCOC(=O)/C=C/CCc1cccnc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 2/20 0.53
MAPT P10636 2/20 0.48
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
FAAH O00519 1/20 0.44
TBXAS1 P24557 7/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.42
NAPRT Q6XQN6 1/20 0.42
CHRNA7 P36544 1/20 0.41

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
SCHEMBL9608827 0.91 GPR52 (0.47) GPR52MAPTTDP1L3MBTL1FAAH
SCHEMBL1268421 0.83 MAPT (0.62) GPR52MAPT
SCHEMBL1268422 0.83 MAPT (0.62) GPR52MAPT
SCHEMBL27310628 0.80 MAPT (0.59) GPR52MAPT
SCHEMBL27311625 0.80 MAPT (0.59) GPR52MAPT
SCHEMBL27311627 0.80 MAPT (0.59) GPR52MAPT
SCHEMBL27310629 0.80 MAPT (0.59) GPR52MAPT
SCHEMBL8514462 0.80 GPR52 (0.65) GPR52TBXAS1NAPRTCHRNA7
SCHEMBL8514458 0.80 GPR52 (0.65) GPR52TBXAS1NAPRTCHRNA7
(2E)-Hexenoic Acid SCHEMBL1404373 0.78 FAAH (0.52) GPR52TDP1FAAHTBXAS1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190002454-A1 NRF2 Regulators GLAXOSMITHKLINE IP DEV LTD (GB) 2019-01-03 US disclosed
CN-105829305-B NRF2 regulator 葛兰素史密斯克莱知识产权发展有限公司 2018-11-30 CN disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
US-20160318917-A1 NRF2 REGULATORS ASTEX THERAPEUTICS LIMITED (GB) 2016-11-03 US disclosed
CN-105829305-A NRF2 REGULATORS 葛兰素史密斯克莱知识产权发展有限公司 2016-08-03 CN disclosed
WO-2015092713-A1 NRF2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2015-06-25 WO disclosed
WO-2012069605-A1 NOVEL E,E-DIENE COMPOUNDS AND THEIR USE AS MEDICAMENTS AND COSMETICS DR. AUGUST WOLFF GMBH & CO. KG ARZNEIMITTEL (DE) 2012-05-31 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 (2 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-20190002454-A1 NRF2 Regulators NFE2L2, KEAP1, NQO1 GPR52 569/4885MAPT 1861/4885TDP1 4359/4885
US-20160318917-A1 NRF2 REGULATORS NFE2L2, KEAP1, NQO1 GPR52 569/4885MAPT 1861/4885TDP1 4359/4885

“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.