SCHEMBL417164

SCHEMBL417164

CC(C)(C)c1ccc(Oc2cccc(C=O)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADAMTS5 Q9UNA0 3/20 0.57
EPOR P19235 1/20 0.48
MAPT P10636 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
HPGD P15428 2/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPK1 P28482 1/20 0.47
RECQL P46063 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
SRC P12931 1/20 0.45
MAOA P21397 3/20 0.43
MAOB P27338 3/20 0.43
POLB P06746 1/20 0.43
CYP2C9 P11712 1/20 0.43
TTR P02766 1/20 0.42
MEN1 O00255 1/20 0.42
LMNA P02545 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
SCHEMBL6852150 0.90 ADAMTS5 (0.48) ADAMTS5EPORMAPTNPC1RAB9A
SCHEMBL1283463 0.89 CYP3A4 (0.47) ADAMTS5MAPTNPC1RAB9AALDH1A1
SCHEMBL6856729 0.86 SRC (0.56) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL924185 0.84 ADAMTS5 (0.55) ADAMTS5MAPTNPC1RAB9AALDH1A1
SCHEMBL6142358 0.83 ALDH1A1 (0.57) ADAMTS5MAPTNPC1RAB9AHPGD
SCHEMBL6853633 0.83 SRC (0.53) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL31599170 0.83 SRC (0.53) MAPTNPC1RAB9AALDH1A1TDP1
SCHEMBL11222905 0.83 MAOB (0.59) EPORMAPTNPC1RAB9AALDH1A1
SCHEMBL6853888 0.83 ADAMTS5 (0.45) ADAMTS5MAPTNPC1RAB9AALDH1A1
SCHEMBL6849018 0.82 SRC (0.60) MAPTNPC1RAB9AHPGDALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460855-A2 Oxygen scavenging compositions and packaging comprising said compositions Constar International Inc. (US) 2012-06-06 EP claimed
US-20090278087-A1 Oxygen Scavenging Compositions and Packaging Comprising Said Compositions CONSTAR INTERNATIONAL, INC (US) 2009-11-12 US claimed
EP-1848659-A2 OXYGEN SCAVENGING COMPOSITIONS AND PACKAGING COMPRISING SAID COMPOSITIONS Constar International Inc. (US) 2007-10-31 EP claimed
WO-2006088889-A2 OXYGEN SCAVENGING COMPOSITIONS AND PACKAGING COMPRISING SAID COMPOSITIONS CONSTAR INTERNATIONAL, INC. (US) 2006-08-24 WO claimed
US-20060180790-A1 polyesters; melt polymerization; packaging CONSTAR INTERNATIONAL INC. (US) 2006-08-17 US claimed
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. 2003-07-03 US claimed
US-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2020-07-07 US disclosed
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS ALLERGAN, INC. 2018-06-21 US disclosed
US-9895361-B2 Compositions containing aromatic aldehydes and their use in treatments ALLERGAN, INC. (US) 2018-02-20 US disclosed
US-9856278-B2 Lysophosphatidylserine derivative THE UNIVERSITY OF TOKYO (JP) 2018-01-02 US disclosed
EP-2794620-B1 BODIPY STRUCTURE FLUORESCENCE PROBES FOR DIVERSE BIOLOGICAL APPLICATIONS NAT UNIV SINGAPORE (SG) 2017-11-15 EP disclosed
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE THE UNIVERSITY OF TOKYO (JP) 2017-07-27 US disclosed
US-9423396-B2 Bodipy structure fluorescence probes for diverse biological applications NATIONAL UNIVERSITY OF SINGAPORE (SG) 2016-08-23 US disclosed
EP-0816310-A2 Scavenger assisted combinatorial process for preparing libraries of tertiary amine compounds ELI LILLY AND COMPANY (US) 1998-01-07 EP disclosed
EP-0763015-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS ARQULE, INC. (US) 1997-03-19 EP disclosed
WO-1996040672-A1 COMBINATORIAL LIBRARIES HAVING AMINODIOL MONOMER SUBUNITS ISIS PHARMACEUTICALS, INC. (US) 1996-12-19 WO disclosed
WO-1996034851-A1 BENZENE, PYRIDINE, NAPHTALENE OR BENZOPHENONE DERIVATIVES AS INHIBITORS OF SQUALENE SYNTHETASE AND PROTEIN FARNESYLTRANSFERASE ABBOTT LABORATORIES (US) 1996-11-07 WO disclosed
WO-1996030377-A1 NITROGENOUS MACROCYCLIC COMPOUNDS ISIS PHARMACEUTICALS, INC. (US) 1996-10-03 WO disclosed
WO-1995032184-A1 SYSTEMATIC MODULAR PRODUCTION OF AMINIMIDE- AND OXAZOLONE- BASED MOLECULES HAVING AT LEAST TWO STRUCTURAL DIVERSITY ELEMENTS ARQULE, INC. (US) 1995-11-30 WO disclosed
US-4371607-A 4-Halogeno-5-(halogenomethyl-phenyl)-oxazole derivatives, a process for the preparation thereof, and radiation-sensitive compositions containing these derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1983-02-01 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 (5 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-10702515-B2 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 ADAMTS5 2464/4885EPOR 4356/4885MAPT 333/4885
US-20180169086-A1 COMPOSITIONS CONTAINING AROMATIC ALDEHYDES AND THEIR USE IN TREATMENTS TYR, ALDH2, AOX1 ADAMTS5 2464/4885EPOR 4356/4885MAPT 333/4885
US-20030124157-A1 Compositions containing aromatic aldehydes and their use in treatments TYR, ALDH2, AOX1 ADAMTS5 2464/4885EPOR 4356/4885MAPT 333/4885
US-20170210767-A1 LYSOPHOSPHATIDYLSERINE DERIVATIVE LPAR3, LPAR1, LPAR4 ADAMTS5 2036/4885EPOR 1120/4885MAPT 4093/4885
US-20090278087-A1 Oxygen Scavenging Compositions and Packaging Comprising Said Compositions LPO, GPX4, PRDX3 ADAMTS5 4541/4885EPOR 134/4885MAPT 3540/4885

“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.