SCHEMBL3009244

SCHEMBL3009244

CCCCCN1C(=O)C(=O)c2ccc(OC)cc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
ALDH2 P05091 1/20 0.61
ALDH3A1 P30838 1/20 0.61
CES1 P23141 2/20 0.59
CDC25A P30304 1/20 0.59
CHRM5 P08912 2/20 0.51
PARK7 Q99497 1/20 0.51
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
SCN9A Q15858 1/20 0.43
HDAC3 O15379 3/20 0.43
TUBB4A P04350 3/20 0.43
TUBB P07437 3/20 0.43
TUBA3C P0DPH7 3/20 0.43
HDAC4 P56524 3/20 0.43
TUBA1B P68363 3/20 0.43
TUBA4A P68366 3/20 0.43
TUBB4B P68371 3/20 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
SCHEMBL3027497 0.99 CES1 (0.62) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL3027019 0.96 ALDH1A1 (0.55) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL28710147 0.89 PARK7 (0.64) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL3027674 0.88 PARK7 (0.63) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL3023083 0.83 PARK7 (0.53) ALDH1A1ALDH3A1CES1CHRM5PARK7
SCHEMBL4597640 0.80 ALDH1A1 (0.64) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL15871530 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2A
SCHEMBL14900952 0.80 ALDH1A1 (0.57) ALDH1A1MEN1KMT2A
SCHEMBL28417285 0.79 CES1 (0.65) ALDH1A1ALDH2ALDH3A1CES1CDC25A
SCHEMBL4022547 0.79 HDAC3 (0.39) ALDH1A1ALDH2ALDH3A1CES1CDC25A

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.