SCHEMBL1248610

SCHEMBL1248610

CCOC(=O)C=C(C)C=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
HCAR2 Q8TDS4 1/20 0.45
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 4/20 0.41
KDM4E B2RXH2 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
ATM Q13315 1/20 0.40
GLO1 Q04760 1/20 0.39
ALOX15 P16050 1/20 0.37
MGAM O43451 1/20 0.37
GAA P10253 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
SOAT1 P35610 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35

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
SCHEMBL1248607 1.00 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL7552831 1.00 NPSR1 (0.54) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL11168141 0.83 NPSR1 (0.43) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL8778884 0.83 NPSR1 (0.43) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL8778882 0.83 NPSR1 (0.43) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL10959675 0.83 NPSR1 (0.43) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL9666690 0.83 NPSR1 (0.43) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL6023236 0.80 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL6023238 0.80 NPSR1 (0.52) NPSR1HCAR2ALDH1A1LMNAHSD17B10
SCHEMBL9517913 0.79 ATM (0.59) NPSR1HCAR2ALDH1A1LMNAMAPT

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 76 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0371264-A2 Phosphonate reagent compositions and methods of making same LOYOLA UNIVERSITY OF CHICAGO (US) 1990-06-06 EP claimed
US-11116212-B2 Carbonyl containing compounds for controlling and repelling Cimicidae populations SEMIOSBIO TECHNOLOGIES INC. (CA) 2021-09-14 US disclosed
US-8889660-B2 Methods for treating obesity or an obesity related condition CASE WESTERN RESERVE UNIVERSITY (US) 2014-11-18 US disclosed
US-20130072555-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CASE WESTERN RESERVE UNIVERSITY (US) 2013-03-21 US disclosed
US-20130006003-A1 NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2013-01-03 US disclosed
US-8338394-B2 Methods for treating metabolic diseases CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-25 US disclosed
EP-2462113-A2 NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES Instytut Farmaceutyczny (PL) 2012-06-13 EP disclosed
EP-2323988-A1 ALPHA7 NICOTINIC ACETYLCHOLINE RECEPTOR INHIBITORS Wyeth LLC (US) 2011-05-25 EP disclosed
WO-2011016739-A2 NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES INSTYTUT FARMACEUTYCZNY (PL) 2011-02-10 WO disclosed
EP-1546083-B1 NOVEL SUBSTITUTED ARYLHEXADIENOIC ACIDS AND ESTERS THEREOF WHICH CAN BE USED FOR THE TREATMENT AND PREVENTION OF DIABETES, DYSLIPIDAEMIA AND ATHEROSCLEROSIS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THE PREPARATION OF THEM MERCK PATENT GMBH (DE) 2010-08-11 EP disclosed
US-4267382-A ANTITUMOR AGENTS; SKIN DISORDERS HOFFMANN-LA ROCHE INC. (US) 1981-05-12 US disclosed
US-4225527-A TREATMENT OF DERMATOLOGICAL CONDITIONS HOFFMANN-LA ROCHE INC. (US) 1980-09-30 US disclosed
US-4224244-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-09-23 US disclosed
US-4215215-A 9-Phenyl-nonate traene compounds HOFFMANN-LA ROCHE INC. (US) 1980-07-29 US disclosed
US-4187247-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1980-02-05 US disclosed
US-4163103-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1979-07-31 US disclosed
US-4107190-A ANTITUMOR HOFFMANN-LA ROCHE INC. (US) 1978-08-15 US disclosed
US-4105681-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1978-08-08 US disclosed
US-4054589-A ANTITUMOR AGENTS HOFFMANN-LA ROCHE INC. (US) 1977-10-18 US disclosed
US-3984440-A FOR NEOPLASIAS, DERMATOSES, INFLAMMATION AND ALLERGIES HOFFMANN-LA ROCHE INC. (US) 1976-10-05 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 (3 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-20130072555-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES GPR119, CYP27A1, HSD17B13 NPSR1 1587/4885HCAR2 338/4885ALDH1A1 480/4885
US-20130006003-A1 NEW SYNTHONES FOR PREPARATION OF 19-NOR VITAMIN D DERIVATIVES CYP24A1, CYP2R1, VDR NPSR1 424/4885HCAR2 257/4885ALDH1A1 2186/4885
US-11116212-B2 Carbonyl containing compounds for controlling and repelling Cimicidae populations DDT, AOC1, EGLN1 NPSR1 3408/4885HCAR2 2072/4885ALDH1A1 250/4885

“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.