SCHEMBL12435669

SCHEMBL12435669

CC(C)(C)C[C@H](O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.64
LMNA P02545 1/20 0.58
KDM4E B2RXH2 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
AOC3 Q16853 6/20 0.48
GAA P10253 2/20 0.47
SLC6A4 P31645 3/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ALDH1A1 P00352 1/20 0.43
PABPC1 P11940 1/20 0.42
APOBEC3A P31941 1/20 0.42
EIF4H Q15056 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5163930 1.00 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL13003036 1.00 RIPK1 (0.64) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3196437 0.84 RIPK1 (0.57) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL8027464 0.83 RIPK1 (0.55) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL3746491 0.83 RIPK1 (0.55) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL13507144 0.81 KDM4E (0.60) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL13979590 0.81 LMNA (0.57) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL14110911 0.81 LMNA (0.57) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL2391721 0.81 RIPK1 (0.53) RIPK1LMNAKDM4EL3MBTL1AOC3
SCHEMBL14111068 0.81 LMNA (0.57) RIPK1LMNAKDM4EL3MBTL1AOC3

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-9428448-B2 Compounds and methods of treating obesity YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2016-08-30 US disclosed
US-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2014-10-16 US disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 US disclosed
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW (IL) 2011-07-21 US disclosed
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods INSTITUTE OF MEDICINAL BIOTECHNOLOGY, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2010-12-09 US disclosed
EP-2008654-A1 3-amino-thieno[2,3-b]pyridine-2-carboxylic acid amides Boehringer Ingelheim Pharmaceuticals, Inc. (US) 2008-12-31 EP disclosed
EP-1513516-B1 SUBSTITUTED 3-AMINO-THIENO(2,3-b) PYRIDINE-2-CARBOXYLIC ACID AMIDE COMPOUNDS AND PROCESSES FOR PREPARING AND THEIR USES BOEHRINGER INGELHEIM PHARMA (US) 2008-12-03 EP 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-20140309273-A1 COMPOUNDS AND METHODS OF TREATING OBESITY FABP4, LIPC, GPR119 RIPK1 3508/4885LMNA 1916/4885KDM4E 2314/4885
US-20110178151-A1 COMPOUNDS AND METHODS OF TREATING OBESITY GPR119, FABP4, LIPC RIPK1 2889/4885LMNA 2295/4885KDM4E 2159/4885
US-20100311694-A1 Set of Geldanamycin Derivatives and Their Preparation Methods HSP90AA1, HSP90AB1, HSP90B1 RIPK1 1684/4885LMNA 3335/4885KDM4E 1791/4885

“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.