SCHEMBL9745331

SCHEMBL9745331

CCCCCCNC(C)CO

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 4/20 0.43
EPHX1 P07099 8/20 0.42
TSHR P16473 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSD17B10 Q99714 1/20 0.40
NAAA Q02083 1/20 0.39
XBP1 P17861 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL11683157 1.00 CNR1 (0.51) CNR1CNR2ALDH1A1KDM4ELMNA
SCHEMBL11599964 1.00 CNR1 (0.51) CNR1CNR2ALDH1A1KDM4ELMNA
SCHEMBL11599714 1.00 CNR1 (0.51) CNR1CNR2ALDH1A1KDM4ELMNA
SCHEMBL9745341 1.00 CNR1 (0.51) CNR1CNR2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL28158327 0.98 CNR1 (0.50) CNR1CNR2ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL29058210 0.98 CNR1 (0.50) CNR1CNR2ALDH1A1KDM4ELMNA
SCHEMBL299216 0.98 CNR2 (0.49) CNR1CNR2ALDH1A1KDM4ELMNA
SCHEMBL2450671 0.91
SCHEMBL27415714 0.89 ALDH1A1 (0.58) CNR1CNR2ALDH1A1KDM4E
SCHEMBL25554197 0.88 ALDH1A1 (0.50) CNR1CNR2ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210379574-A1 MULTI-FUNCTIONALIZED HOLLOW FIBER ORGANOCATALYSTS THE CURATORS OF THE UNIVERSITY OF MISSOURI 2021-12-09 US disclosed
EP-2860170-B1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL IND LTD (JP) 2019-08-28 EP disclosed
EP-3015449-B1 (METH)ACRYLATE PRODUCTION SYSTEM OSAKA ORGANIC CHEMICAL IND LTD (JP) 2018-10-10 EP disclosed
US-9670129-B2 Process for preparing 4-hydroxybutyl acrylate OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2017-06-06 US disclosed
US-20160136538-A1 (METH)ACRYLATE PRODUCTION SYSTEM OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2016-05-19 US disclosed
EP-3015449-A1 (METH)ACRYLATE PRODUCTION SYSTEM Osaka Organic Chemical Ind., Ltd. (JP) 2016-05-04 EP disclosed
US-20150126766-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE OSAKA ORGANIC CHEMICAL INDUSTRY LTD. (JP) 2015-05-07 US disclosed
EP-2860170-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE Osaka Organic Chemical Ind., Ltd. (JP) 2015-04-15 EP disclosed
US-5091575-A Renin inhibitor ABBOTT LABORATORIES (US) 1992-02-25 US disclosed
EP-0229667-A2 Peptidylaminodiols ABBOTT LABORATORIES (US) 1987-07-22 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 (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-20210379574-A1 MULTI-FUNCTIONALIZED HOLLOW FIBER ORGANOCATALYSTS HAAO, DCAF1, HPD CNR1 4129/4885CNR2 3676/4885ALDH1A1 945/4885
US-20150126766-A1 PROCESS FOR PREPARING 4-HYDROXYBUTYL ACRYLATE LTB4R2, LTA4H, LTB4R CNR1 3836/4885CNR2 2679/4885ALDH1A1 261/4885

“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.