SCHEMBL3389048

SCHEMBL3389048

CCOC(=O)C=C(C)C=CC=C(C)C=CC1=C(C)C(=O)CCC1(C)C

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.72
ALOX15 P16050 3/20 0.72
ALDH1A1 P00352 10/20 0.52
RXRA P19793 5/20 0.52
CYP3A4 P08684 5/20 0.52
RARA P10276 4/20 0.52
RARB P10826 4/20 0.52
RARG P13631 4/20 0.52
PTGS1 P23219 4/20 0.52
ADORA3 P0DMS8 3/20 0.52
RXRB P28702 2/20 0.52
RXRG P48443 2/20 0.52
RORC P51449 2/20 0.52
MAPK1 P28482 2/20 0.52
HTR2B P41595 2/20 0.52
BLM P54132 2/20 0.52
HIF1A Q16665 2/20 0.52
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
DRD3 P35462 2/20 0.52

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
SCHEMBL10067470 1.00 MAPT (0.72) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL4389190 0.89 MAPT (0.76) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL17769829 0.89 MAPT (0.76) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL7088911 0.89 MAPT (0.76) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL4389183 0.89 MAPT (0.76) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL13252674 0.88 MAPT (0.64) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL5905823 0.88 MAPT (0.74) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL11484869 0.87 ALDH1A1 (0.54) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL1717832 0.86 MAPT (0.71) MAPTALOX15ALDH1A1RXRACYP3A4
SCHEMBL25378972 0.85 MAPT (0.81) MAPTALOX15ALDH1A1RXRACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-8338394-B2 Methods for treating metabolic diseases CASE WESTERN RESERVE UNIVERSITY (US) 2012-12-25 US disclosed
US-20100135977-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-06-03 US disclosed
US-20080249042-A1 cultured prokaryotic or eukaryotic cell transformed or transfected with expression construct; vectors; treating retinal disease or blindness UNIVERSITY OF WASHINGTON (US) 2008-10-09 US disclosed
WO-2008063768-A2 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CASE WESTERN RESERVE UNIVERSITY (US) 2008-05-29 WO disclosed
EP-1797176-A2 ALL-TRANS-RETINOL : ALL-TRANS-13,14-DIHYDRORETINOL SATURASE AND METHODS OF ITS USE University of Washington (US) 2007-06-20 EP disclosed
WO-2006029398-A2 ALL-TRANS-RETINOL : ALL-TRANS-13,14-DIHYDRORETINOL SATURASE AND METHODS OF ITS USE UNIVERSITY OF WASHINGTON (US) 2006-03-16 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 (2 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 MAPT 1214/4885ALOX15 89/4885ALDH1A1 480/4885
US-20100135977-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CYP27A1, HSD17B13, GPR119 MAPT 847/4885ALOX15 107/4885ALDH1A1 823/4885

“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.