SCHEMBL9874566

SCHEMBL9874566

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 1/20 0.38
CYP2C19 P33261 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HTT P42858 1/20 0.38
CES2 O00748 1/20 0.37
CYP3A4 P08684 2/20 0.35
METAP2 P50579 3/20 0.35
METAP1 P53582 3/20 0.35
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALOX15 P16050 2/20 0.33
CHRM1 P11229 1/20 0.33
ADORA1 P30542 1/20 0.33
HPGD P15428 1/20 0.33
CYP2D6 P10635 1/20 0.32
MGAM O43451 1/20 0.32
SI P14410 1/20 0.32

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
SCHEMBL31065468 0.86 METAP2 (0.42) ALDH1A1HSD17B10LMNACYP2C19CYP1A2
SCHEMBL7025313 0.85 CYP2C19 (0.51) ALDH1A1HSD17B10LMNACYP2C19CYP1A2
SCHEMBL12934328 0.82 METAP2 (0.40) ALDH1A1HSD17B10LMNACYP2C19CYP1A2
SCHEMBL3671186 0.82 METAP2 (0.43) ALDH1A1HSD17B10LMNACYP2C19CYP1A2
SCHEMBL12707543 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNACYP2C19CYP3A4
SCHEMBL16626926 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNACYP2C19CYP2C9
SCHEMBL12707546 0.77 ALDH1A1 (0.42) ALDH1A1HSD17B10LMNACYP2C19CYP3A4
SCHEMBL818946 0.76 MME (0.41) ALDH1A1HSD17B10LMNACYP2C19CYP3A4
SCHEMBL16790758 0.75 APEX1 (0.39) ALDH1A1CYP1A2CES2
SCHEMBL7032280 0.74 CYP1A2 (0.49) ALDH1A1HSD17B10LMNACYP2C19CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8552062-B2 Methods for the treatment of metabolic disorders such as diabetes WELLSTAT THERAPEUTICS CORPORATION (US) 2013-10-08 US disclosed
US-7863475-B2 Compounds for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2011-01-04 US disclosed
US-7851494-B2 Method for the treatment of metabolic disorders WELLSTAT THERAPEUTICS CORPORATION (US) 2010-12-14 US disclosed
US-7547802-B2 5-[3-(2,6-Dimethylbenzyloxy)-phenyl]-pent-4-enoic acid ethyl ester; insulin resistance syndrome, diabetes, cachexia, hyperlipidemia, fatty liver disease, obesity, atherosclerosis, arteriosclerosis; side effects reduction; orally active WELLSTAT THERAPEUTICS CORPORATION (US) 2009-06-16 US disclosed
US-20080027229-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-31 US disclosed
US-20080021109-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2008-01-24 US disclosed
US-20070265322-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-11-15 US disclosed
US-20070249719-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-10-25 US disclosed
US-20070244172-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-10-18 US disclosed
US-20070244171-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-10-18 US disclosed
US-20070105958-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS WELLSTAT THERAPEUTICS CORPORATION (US) 2007-05-10 US disclosed
US-5006150-A Herbicides SANDOZ LTD. (CH) 1991-04-09 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 (7 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-20070105958-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B ALDH1A1 1035/4885HSD17B10 142/4885LMNA 1879/4885
US-20070244171-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B ALDH1A1 1035/4885HSD17B10 142/4885LMNA 1879/4885
US-20080027229-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B ALDH1A1 1035/4885HSD17B10 142/4885LMNA 1879/4885
US-20070249719-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B ALDH1A1 1035/4885HSD17B10 142/4885LMNA 1879/4885
US-20080021109-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B ALDH1A1 1035/4885HSD17B10 142/4885LMNA 1879/4885
US-20070265322-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B ALDH1A1 1035/4885HSD17B10 142/4885LMNA 1879/4885
US-20070244172-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISORDERS GOT2, OAT, CPT1B ALDH1A1 1035/4885HSD17B10 142/4885LMNA 1879/4885

“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.