SCHEMBL276647

SCHEMBL276647

CCOC(=O)C(C(=O)C(=O)OC(C)(C)C)C(=O)c1ccc(Cl)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
MAPT P10636 3/20 0.47
CYP3A4 P08684 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 2/20 0.42
PPARA Q07869 2/20 0.42
PMP22 Q01453 2/20 0.42
ABCB11 O95342 1/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.42
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRK1 P41145 1/20 0.39
EPHX2 P34913 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL327648 0.81 SMN1; SMN2 (0.41) ALDH1A1CYP3A4SMN1; SMN2CYP1A2PPARA
SCHEMBL276630 0.77 TRPA1 (0.43) ALDH1A1MAPTCYP3A4SMN1; SMN2CYP1A2
SCHEMBL25015331 0.75 ALDH1A1 (0.60) ALDH1A1MAPTCYP3A4SMN1; SMN2CYP1A2
SCHEMBL1965917 0.72 SMN1; SMN2 (0.51) ALDH1A1MAPTCYP3A4SMN1; SMN2CYP1A2
SCHEMBL277081 0.72 SMN1; SMN2 (0.48) ALDH1A1MAPTCYP3A4SMN1; SMN2CYP1A2
SCHEMBL25179993 0.72 SMN1; SMN2 (0.48) ALDH1A1MAPTCYP3A4SMN1; SMN2CYP1A2
SCHEMBL2222084 0.71 SMN1; SMN2 (0.44) ALDH1A1MAPTCYP3A4SMN1; SMN2CYP1A2
SCHEMBL8099629 0.71 MAPT (0.48) ALDH1A1MAPTSMN1; SMN2TSHRMEN1
SCHEMBL8193467 0.71 SMN1; SMN2 (0.50) ALDH1A1MAPTCYP3A4SMN1; SMN2CYP1A2
SCHEMBL20263132 0.71 SMN1; SMN2 (0.50) ALDH1A1MAPTCYP3A4SMN1; SMN2CYP1A2

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 7 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
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2009-03-12 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 US disclosed
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction JENRIN DISCOVERY (US) 2007-09-13 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-20100144791-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 ALDH1A1 3407/4885MAPT 4267/4885CYP3A4 1129/4885
US-20090069329-A1 CANNABINOID RECEPTOR ANTAGONISTS/INVERSE AGONISTS USEFUL FOR TREATING OBESITY CNR2, CNR1, GPR119 ALDH1A1 3407/4885MAPT 4267/4885CYP3A4 1129/4885
US-20070213302-A1 pyrazoles; diabetes, cardiometabolic disorders; side effects reduction CNR2, CNR1, GPR119 ALDH1A1 2408/4885MAPT 4569/4885CYP3A4 62/4885

“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.