SCHEMBL1964176

SCHEMBL1964176

O=C1CCCC1C1=CCCC1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR4 O00206 2/20 0.48
MAPT P10636 1/20 0.37
KDM1A O60341 1/20 0.35
HIF1A Q16665 1/20 0.33
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
KMT2A Q03164 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
SCHEMBL30130600 0.94 TLR4 (0.56) TLR4MAPTKDM1AHIF1ACA1
SCHEMBL130772 0.90 TLR4 (0.56) TLR4MAPTKDM1AHIF1ACA1
SCHEMBL5175094 0.89 TLR4 (0.50) TLR4MAPTKDM1A
SCHEMBL11443954 0.83 TLR4 (0.58) TLR4MAPTKDM1ACA1CA2
SCHEMBL8874668 0.81 TLR4 (0.55) TLR4MAPTHIF1ACA1CA2
SCHEMBL21053302 0.78
SCHEMBL8466436 0.77 KDM1A (0.36) MAPTKDM1A
SCHEMBL3665324 0.75 TLR4 (0.39) TLR4
SCHEMBL10258695 0.75 KDM1A (0.44) TLR4MAPTKDM1A
SCHEMBL14694072 0.75 KDM1A (0.44) TLR4MAPTKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1082026-A The 2-[N-substituted amine alkyl]-5-(E)-alkane methylene radical or Ben Yajiaji cyclopentanone derivatives and relevant using method SHENYANG COLLEGE OF PHARMACY (CN) 1994-02-16 CN claimed
CN-112552949-B Method for synthesizing high-density low-freezing-point hydrocarbon component by biomass platform compound 中国科学院广州能源研究所 2022-10-28 CN disclosed
CN-111218312-B Method for preparing aviation fuel from biomass platform compound 中国科学院大连化学物理研究所 2022-02-11 CN disclosed
CN-112552949-A Method for synthesizing high-density low-freezing-point hydrocarbon component by biomass platform compound 中国科学院广州能源研究所 2021-03-26 CN disclosed
CN-111218312-A Method for preparing aviation fuel from biomass platform compound 中国科学院大连化学物理研究所 2020-06-02 CN disclosed
EP-2334629-B1 PROCESS FOR PREPARING CYCLIC KETONES BASF SE (DE) 2016-08-10 EP disclosed
CN-104761438-A PROCESS FOR PREPARING CYCLIC KETONES BASF SE 2015-07-08 CN disclosed
EP-2771331-A1 NOVEL PROCESS Givaudan SA (CH) 2014-09-03 EP disclosed
US-8461392-B2 Process for preparing cyclic ketones BASF SE (DE) 2013-06-11 US disclosed
WO-2013060818-A1 NOVEL PROCESS GIVAUDAN SA (CH) 2013-05-02 WO disclosed
CN-102137832-A Process for preparing cyclic ketones BASF SE 2011-07-27 CN disclosed
US-20110152576-A1 PROCESS FOR PREPARING CYCLIC KETONES BASF SE (DE) 2011-06-23 US disclosed
EP-2334629-A2 PROCESS FOR PREPARING CYCLIC KETONES BASF SE (DE) 2011-06-22 EP disclosed
WO-2010023211-A2 PROCESS FOR PREPARING CYCLIC KETONES BASF SE (DE) 2010-03-04 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-20110152576-A1 PROCESS FOR PREPARING CYCLIC KETONES AKR1C4, ALKBH3, AKR1B10 TLR4 3871/4885MAPT 2295/4885KDM1A 682/4885

“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.