SCHEMBL3027019

SCHEMBL3027019

CCCCN1C(=O)C(=O)c2ccc(OC)cc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
ALDH2 P05091 1/20 0.55
ALDH3A1 P30838 1/20 0.55
CES1 P23141 2/20 0.54
CDC25A P30304 1/20 0.54
PARK7 Q99497 1/20 0.52
CHRM5 P08912 2/20 0.52
KMT2A Q03164 4/20 0.48
MEN1 O00255 3/20 0.48
MAPT P10636 4/20 0.47
POLB P06746 2/20 0.47
CASP3 P42574 2/20 0.46
CASP7 P55210 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
RCE1 Q9Y256 1/20 0.42

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
SCHEMBL3009244 0.96 ALDH1A1 (0.61) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL3027497 0.94 CES1 (0.62) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL28710147 0.84 PARK7 (0.64) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL3023083 0.84 PARK7 (0.53) ALDH1A1ALDH3A1CES1PARK7CHRM5
SCHEMBL3027674 0.83 PARK7 (0.63) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL17274922 0.79 PARK7 (0.69) ALDH1A1PARK7CHRM5KMT2AMEN1
SCHEMBL28417115 0.79 ALDH1A1 (0.57) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL14876466 0.77 TP53 (0.53) ALDH1A1PARK7CHRM5KMT2AMAPT
SCHEMBL9182912 0.77 TTR (0.52) ALDH1A1CES1PARK7CHRM5CASP3
SCHEMBL31419967 0.77 TTR (0.52) ALDH1A1CES1PARK7CHRM5CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180200225-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2018-07-19 US disclosed
US-20170231953-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS CLEVELAND CLINIC FOUND (US) 2017-08-17 US disclosed
US-9656957-B2 Hydrazone modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2017-05-23 US disclosed
US-20150313874-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2015-11-05 US disclosed
US-9079854-B2 Hydrazone modulators of cannabinoid receptors THE CLEVELAND CLINIC FOUNDATION (US) 2015-07-14 US disclosed
US-20130184275-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2013-07-18 US disclosed
US-8309595-B2 Hydrazone modulators of cannabinoid receptors BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2012-11-13 US disclosed
US-20100197755-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-08-05 US disclosed
WO-2009012227-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2009-01-22 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 (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-20170231953-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 ALDH1A1 2096/4885ALDH2 2253/4885ALDH3A1 1544/4885
US-20150313874-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 ALDH1A1 2096/4885ALDH2 2253/4885ALDH3A1 1544/4885
US-20100197755-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 ALDH1A1 2096/4885ALDH2 2253/4885ALDH3A1 1544/4885
US-20130184275-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 ALDH1A1 2096/4885ALDH2 2253/4885ALDH3A1 1544/4885
US-20180200225-A1 HYDRAZONE MODULATORS OF CANNABINOID RECEPTORS CNR1, CNR2, GPR18 ALDH1A1 2096/4885ALDH2 2253/4885ALDH3A1 1544/4885

“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.