SCHEMBL3329511

SCHEMBL3329511

CC(C)=CCC=CC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.46
GABRR1 P24046 2/20 0.46
GABRR2 P28476 2/20 0.46
BLM P54132 2/20 0.46
GABRR3 A8MPY1 1/20 0.46
LMNA P02545 1/20 0.46
APEX1 P27695 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
AKR1C3 P42330 4/20 0.43
AKR1B10 O60218 2/20 0.43
AKR1B1 P15121 2/20 0.43
MMP2 P08253 1/20 0.43
PAK1 Q13153 1/20 0.43
KDM4E B2RXH2 1/20 0.41
ATM Q13315 1/20 0.41
TP53 P04637 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGLN3 Q9H6Z9 1/20 0.40
GRIK1 P39086 1/20 0.36

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
SCHEMBL2566337 0.84 KDM4E (0.37) LMNANPSR1TDP1AKR1C3AKR1B10
SCHEMBL16428592 0.81 KDM4E (0.60) KDM4EATMFNTAFNTB
SCHEMBL18952257 0.80 KDM4E (0.48) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL1135821 0.80 TSHR (0.42) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL18952260 0.80 KDM4E (0.48) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL16167489 0.80 FNTA (0.61) KDM4EATMFNTAFNTB
SCHEMBL16428262 0.80 FNTA (0.61) KDM4EATMFNTAFNTB
SCHEMBL16167488 0.80 FNTA (0.61) KDM4EATMFNTAFNTB
SCHEMBL1809605 0.76 TSHR (0.61) TSHRGABRR1GABRR2BLMGABRR3
SCHEMBL6142645 0.74 TSHR (0.34) TSHRTP53

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 5 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
WO-2008063768-A2 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CASE WESTERN RESERVE UNIVERSITY (US) 2008-05-29 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 TSHR 575/4885GABRR1 2017/4885GABRR2 2157/4885
US-20100135977-A1 COMPOSITIONS AND METHODS FOR TREATING METABOLIC DISEASES CYP27A1, HSD17B13, GPR119 TSHR 1078/4885GABRR1 1667/4885GABRR2 1860/4885

“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.