SCHEMBL11299259

SCHEMBL11299259

CCC#CC(O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.53
LMNA P02545 3/20 0.48
TSHR P16473 1/20 0.48
CACNA2D1 P54289 1/20 0.47
CACNB2 Q08289 1/20 0.47
CACNA1C Q13936 1/20 0.47
AOC3 Q16853 3/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA2A P08913 1/20 0.38
ADRA2C P18825 1/20 0.38
HIF1A Q16665 1/20 0.38
KMT2A Q03164 1/20 0.38
RIPK1 Q13546 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37

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
SCHEMBL16407272 0.84 ALDH1A1 (0.51) ALDH1A1MAPK1HTTLMNATSHR
SCHEMBL25993084 0.82 ESR1 (0.47) ALDH1A1LMNATSHRKDM4EHIF1A
SCHEMBL2686608 0.81 ALDH1A1 (0.49) ALDH1A1MAPK1HTTLMNATSHR
SCHEMBL9547886 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1HTTLMNATSHR
SCHEMBL29007624 0.80 AOC3 (0.41) ALDH1A1MAPK1HTTLMNATSHR
SCHEMBL9243871 0.80 ALDH1A1 (0.47) ALDH1A1MAPK1HTTLMNATSHR
SCHEMBL10691972 0.80 KCNH2 (0.54) ALDH1A1MAPK1HTTLMNATSHR
SCHEMBL9547891 0.79 TSHR (0.64) ALDH1A1MAPK1HTTLMNATSHR
SCHEMBL28504713 0.79 ALDH1A1 (0.54) ALDH1A1MAPK1HTTLMNATSHR
SCHEMBL10674269 0.79 ALDH1A1 (0.50) ALDH1A1MAPK1HTTLMNATSHR

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
US-4273944-A Method for selective preparation of cis isomers of ethylenically unsaturated compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1981-06-16 US claimed
US-8269047-B2 Synthesis of alpha-halo enones and enals BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION, ON BEHALF OF THE UNIVERSITY OF NEVADA, RENO (US) 2012-09-18 US disclosed
US-20110021806-A1 SYNTHESIS OF ALPHA-HALO ENONES AND ENALS Board of Regents of the Nevada System of Higher Education, on behalf of the Univ of Nevada, Reno (US) 2011-01-27 US disclosed
EP-0011439-B1 METHOD FOR SELECTIVE PREPARATION OF CIS ISOMERS OF ETHYLENICALLY UNSATURATED COMPOUNDS Shin-Etsu Chemical Co., Ltd. (JP) 1982-05-05 EP disclosed
US-4273944-A Method for selective preparation of cis isomers of ethylenically unsaturated compounds SHIN-ETSU CHEMICAL CO., LTD. (JP) 1981-06-16 US disclosed
EP-0011439-A1 Method for selective preparation of cis isomers of ethylenically unsaturated compounds Shin-Etsu Chemical Co., Ltd. (JP) 1980-05-28 EP 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-20110021806-A1 SYNTHESIS OF ALPHA-HALO ENONES AND ENALS ADH1C, ADH1A, AP1S1 ALDH1A1 322/4885MAPK1 3081/4885HTT 1267/4885

“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.