SCHEMBL4740513

SCHEMBL4740513

CC(=O)OCCC=C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.68
ALDH1A1 P00352 4/20 0.55
CHRM5 P08912 2/20 0.44
CHRM1 P11229 2/20 0.44
CHRM3 P20309 2/20 0.44
TSHR P16473 2/20 0.44
PGR P06401 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
HTR1A P08908 1/20 0.44
CHRNB2 P17787 1/20 0.44
TBXA2R P21731 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
CHRNA4 P43681 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CHRNA10 Q9GZZ6 1/20 0.44
CHRNA9 Q9UGM1 1/20 0.44
GALR3 O60755 2/20 0.43

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
SCHEMBL15315224 0.88 ALOX15 (0.70) ALOX15ALDH1A1KDM4EATM
SCHEMBL25666808 0.88 ALOX15 (0.70) ALOX15ALDH1A1KDM4EATM
SCHEMBL31277576 0.88 ALOX15 (0.70) ALOX15ALDH1A1KDM4EATM
SCHEMBL16682272 0.88 ALOX15 (0.70) ALOX15ALDH1A1KDM4EATM
SCHEMBL31276990 0.88 ALOX15 (0.70) ALOX15ALDH1A1KDM4EATM
SCHEMBL31277547 0.88 ALOX15 (0.70) ALOX15ALDH1A1KDM4EATM
SCHEMBL31277374 0.88 ALOX15 (0.70) ALOX15ALDH1A1KDM4EATM
SCHEMBL3359346 0.85 ALOX15 (0.52) ALOX15ALDH1A1TSHRKDM4EATM
SCHEMBL4104999 0.84 ALOX15 (0.56) ALOX15ALDH1A1CHRM5CHRM1CHRM3
SCHEMBL9541469 0.83 ALOX15 (0.50) ALOX15ALDH1A1TSHRKDM4EATM

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-20230183761-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2023-06-15 US disclosed
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-05-17 US disclosed
US-7825149-B2 Substituted imidazoles PFIZER LIMITED (GB) 2010-11-02 US disclosed
US-20090312326-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2009-12-17 US disclosed
US-7592362-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-09-22 US disclosed
US-7547718-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-16 US disclosed
US-7544706-B2 Substituted imidazoles PFIZER LIMITED (GB) 2009-06-09 US disclosed
US-20080125473-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-29 US disclosed
US-20080119536-A1 SUBSTITUTED IMIDAZOLES PFIZER LIMITED (GB) 2008-05-22 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US 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 (5 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-20080125473-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALOX15 4647/4885ALDH1A1 617/4885CHRM5 1415/4885
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS ORC3, OXER1, CBR3 ALOX15 1977/4885ALDH1A1 2951/4885CHRM5 876/4885
US-20090312326-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALOX15 4647/4885ALDH1A1 617/4885CHRM5 1415/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALOX15 4647/4885ALDH1A1 617/4885CHRM5 1415/4885
US-20080119536-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 ALOX15 4647/4885ALDH1A1 617/4885CHRM5 1415/4885

“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.