SCHEMBL327712

SCHEMBL327712

CCCCOC(=O)C(=O)C(C)C(=O)c1ccc(OCC2OC(C)O2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PLA2G4B P0C869 3/20 0.37
SLC2A1 P11166 1/20 0.37
TSHR P16473 3/20 0.37
TP53 P04637 2/20 0.37
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
APEX1 P27695 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
GBA1 P04062 1/20 0.35
ESR1 P03372 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 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
SCHEMBL327698 0.76 MAOB (0.51) ALDH1A1PLA2G4BTSHRHTTTDP1
SCHEMBL327682 0.76 TSHR (0.43) HPGDALDH1A1TSHRTP53POLB
SCHEMBL9378715 0.67 TSHR (0.60) HPGDALDH1A1PLA2G4BSLC2A1TSHR
SCHEMBL2852255 0.67 HDAC3 (0.48) ALDH1A1SLC2A1HTTTDP1LMNA
SCHEMBL11048800 0.66 TSHR (0.58) HPGDALDH1A1PLA2G4BTSHRTP53
SCHEMBL10040899 0.65 TSHR (0.57) HPGDALDH1A1PLA2G4BSLC2A1TSHR
SCHEMBL19130182 0.65 TP53 (0.66) PLA2G4BTSHRTP53THRBRARB
SCHEMBL14903550 0.65 TSHR (0.57) HPGDALDH1A1PLA2G4BSLC2A1TSHR
SCHEMBL327648 0.64 SMN1; SMN2 (0.41) ALDH1A1TSHRTP53POLBTDP1
SCHEMBL7909288 0.64 RARB (0.63) PLA2G4BSLC2A1TSHRTP53CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8133904-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2012-03-13 US disclosed
US-8088798-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity Jensen Discovery, Inc. 2012-01-03 US disclosed
US-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2010-06-10 US disclosed
US-7687481-B2 Cannabinoid receptor antagonists/inverse agonists useful for treating obesity JENRIN DISCOVERY, INC. (US) 2010-03-30 US disclosed
WO-2009033125-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 WO disclosed
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 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 (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-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 HPGD 1939/4885ALDH1A1 3407/4885PLA2G4B 1379/4885
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 HPGD 1939/4885ALDH1A1 3407/4885PLA2G4B 1379/4885

“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.