SCHEMBL1786183

SCHEMBL1786183

COC(=O)Cc1ccc(C)c(C)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.63
RAB9A P51151 3/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
ALDH1A1 P00352 2/20 0.57
GAA P10253 2/20 0.57
GFER P55789 1/20 0.57
CYP4F2 P78329 1/20 0.55
CYP4A11 Q02928 1/20 0.55
HSP90AB1 P08238 1/20 0.53
RIOK2 Q9BVS4 1/20 0.50
HPGD P15428 2/20 0.49
MAPT P10636 1/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
LMNA P02545 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
SLC7A5 Q01650 1/20 0.46
PDK2 Q15119 1/20 0.44
PKM P14618 1/20 0.44

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
SCHEMBL2127019 0.85 GAA (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL12062913 0.85 ALDH1A1 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL334348 0.85 GAA (0.63) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL30096935 0.85 GAA (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL10309764 0.84 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL13014917 0.84 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL13211726 0.84 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL14712149 0.84 ALDH1A1 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL3759057 0.84 GAA (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1GAA
SCHEMBL3213276 0.84 ALDH1A1 (0.66) NPC1RAB9ASMN1; SMN2ALDH1A1GAA

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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11414435-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2022-08-16 US disclosed
US-20200317698-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-10-08 US disclosed
EP-2943204-B1 BETA-LACTAMASE INHIBITORS VENATORX PHARMACEUTICALS INC (US) 2019-03-13 EP disclosed
US-10125152-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2018-11-13 US disclosed
US-10093685-B2 2018-10-09 US disclosed
US-20170342093-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-11-30 US disclosed
US-9771382-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2017-09-26 US disclosed
US-9562167-B2 Magnetic recording medium and magnetic coating composition for magnetic recording medium FUJIFILM CORPORATION (JP) 2017-02-07 US disclosed
US-20160304539-A1 BETA-LACTAMASE INHIBITORS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-10-20 US disclosed
US-9403850-B2 Beta-lactamase inhibitors VenatoRx Pharmaceuticals, Inc. (US) 2016-08-02 US disclosed
EP-1490047-B1 CERTAIN PHARMACEUTICALLY USEFUL SUBSTITUTED AMINOALKYL HETEROCYCLES SMITHKLINE BEECHAM CORP (US) 2009-12-30 EP disclosed
WO-2009107799-A1 PROCESS FOR PRODUCTION OF THIOPHENE COMPOUND AND INTERMEDIATE THEREOF 日産化学工業株式会社 (JP) 2009-09-03 WO disclosed
US-6872748-B2 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same DIGITAL BIOTECH CO., LTD. (KR) 2005-03-29 US disclosed
US-20040063786-A1 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same MEDIFRON DBT CO., LTD. (KR) 2004-04-01 US disclosed
WO-2003027064-A1 SIMPLIFIED RESINIFERATOXIN ANALOGUES AS VANILLOID RECEPTOR AGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL CO MPOSITIONS CONTAINING THE SAME DIGITAL BIOTECH CO. LTD,. (KR) 2003-04-03 WO disclosed
US-6320050-B1 2-SUBSTITUTED PHENYL-3-CYCLOALKYL SUBSTITUTED N-HETEROAROMATIC PROPIONAMIDES; USED TO INCREASE INSULIN SECRETION IN THE TREATMENT OF TYPE II DIABETES. HOFFMANN-LA ROCHE INC. 2001-11-20 US disclosed
EP-0505376-B1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LTD (GB) 1994-12-07 EP disclosed
US-5340831-A Muscarinic receptor antagonists PFIZER INC. (US) 1994-08-23 US disclosed
EP-0505376-A1 MUSCARINIC RECEPTOR ANTAGONISTS. PFIZER LTD (GB) 1992-09-30 EP disclosed
WO-1991009013-A1 MUSCARINIC RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 1991-06-27 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 (7 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-20170342093-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT NPC1 4491/4885RAB9A 1933/4885SMN1; SMN2 2444/4885
US-20040063786-A1 Simplified resiniferatoxin analogues as vanilloid receptor agonist showing excellent analgesic activity and the pharmaceutical compositions containing the same TRPV1, OPRL1, GPR180 NPC1 3752/4885RAB9A 622/4885SMN1; SMN2 963/4885
US-10093685-B2 MRPL21, GAA, MGAM NPC1 4343/4885RAB9A 1592/4885SMN1; SMN2 1473/4885
US-10125152-B2 Beta-lactamase inhibitors MGAM, GAA, LCT NPC1 4491/4885RAB9A 1933/4885SMN1; SMN2 2444/4885
US-20200317698-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT NPC1 4491/4885RAB9A 1933/4885SMN1; SMN2 2444/4885
US-11414435-B2 Beta-lactamase inhibitors MGAM, GAA, LCT NPC1 4491/4885RAB9A 1933/4885SMN1; SMN2 2444/4885
US-20160304539-A1 BETA-LACTAMASE INHIBITORS MGAM, GAA, LCT NPC1 4491/4885RAB9A 1933/4885SMN1; SMN2 2444/4885

“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.