SCHEMBL67780

SCHEMBL67780

CCC(=O)Oc1cccc(O)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.50
ALDH1A1 P00352 2/20 0.50
LMNA P02545 2/20 0.50
HPGD P15428 2/20 0.50
HSD17B10 Q99714 2/20 0.50
KDM4E B2RXH2 1/20 0.50
TP53 P04637 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50
ALOX12 P18054 1/20 0.50
MAPK1 P28482 1/20 0.50
IAPP P10997 5/20 0.46
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA12 O43570 3/20 0.44
CA7 P43166 3/20 0.44
CA9 Q16790 3/20 0.44
CA14 Q9ULX7 3/20 0.44
ACHE P22303 3/20 0.44
ESR1 P03372 2/20 0.43

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
SCHEMBL361508 0.86 GAA (0.50) ALOX15LMNAKDM4ETP53MAPT
SCHEMBL9997113 0.85 CA12 (0.46) ALOX15ALDH1A1LMNAHPGDHSD17B10
SCHEMBL26153367 0.85 ACHE (0.47) ALOX15ALDH1A1LMNAHPGDHSD17B10
SCHEMBL5316653 0.85 IAPP (0.50) ALOX15ALDH1A1LMNAHPGDHSD17B10
Methane SCHEMBL10713153 0.85 GAA (0.48) ALOX15ALDH1A1LMNAKDM4ETP53
SCHEMBL27728479 0.85 ALOX15 (0.47) ALOX15ALDH1A1LMNAHPGDHSD17B10
SCHEMBL10876865 0.84 CA12 (0.41) ALOX15ALDH1A1LMNAHPGDHSD17B10
SCHEMBL10876869 0.84 ACHE (0.41) ALOX15ALDH1A1LMNAHPGDHSD17B10
SCHEMBL4795365 0.84 ESR1 (0.42) ALOX15ALDH1A1LMNAHPGDHSD17B10
SCHEMBL27853104 0.84 ACHE (0.41) ALOX15ALDH1A1LMNAHPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108949648-B A kind of engineering bacteria and its with the application of cheap substrates production danshensu 江南大学 2019-10-25 CN claimed
CN-107261148-A Methylphenidate prodrug, its preparation and application 凯姆制药公司 2017-10-20 CN claimed
CN-104769119-A Methods for biosynthesizing 1,3 butadiene INVISTA TECH SARL 2015-07-08 CN claimed
CN-104321434-A Methods for biosynthesizing 1,3butadiene INVISTA TECH SARL 2015-01-28 CN claimed
CN-107261148-A Methylphenidate prodrug, its preparation and application 凯姆制药公司 2017-10-20 CN disclosed
CN-103826633-B Methylphenidate prodrugs, methods of making and using the same 凯姆制药公司 2017-05-24 CN disclosed
US-20170015799-A1 FIBER-REINFORCED RESIN COMPOSITE BODY, AND REINFORCED MATRIX RESIN FOR FIBER-REINFORCED RESIN DAINIPPON INK & CHEMICALS (JP) 2017-01-19 US disclosed
EP-2816073-B1 FIBER-REINFORCED RESIN COMPOSITE BODY, AND REINFORCED MATRIX RESIN FOR FIBER-REINFORCED RESIN DAINIPPON INK & CHEMICALS (JP) 2016-10-19 EP disclosed
CN-105749294-A Benzoic Acid, Benzoic Acid Derivatives And Heteroaryl Carboxylic Acid Conjugates Of Hydromorphone, Prodrugs, Methods Of Making And Use Thereof 凯姆制药公司 2016-07-13 CN disclosed
CN-104769119-A Methods for biosynthesizing 1,3 butadiene INVISTA TECH SARL 2015-07-08 CN disclosed
CN-104321434-A Methods for biosynthesizing 1,3butadiene INVISTA TECH SARL 2015-01-28 CN disclosed
US-20150005413-A1 FIBER-REINFORCED RESIN COMPOSITE BODY, AND REINFORCED MATRIX RESIN FOR FIBER-REINFORCED RESIN DIC CORPORATION (JP) 2015-01-01 US disclosed
EP-2816073-A1 FIBER-REINFORCED RESIN COMPOSITE BODY, AND REINFORCED MATRIX RESIN FOR FIBER-REINFORCED RESIN DIC Corporation (JP) 2014-12-24 EP disclosed
US-8129493-B2 Aromatic polyester MURORAN INSTITUTE OF TECHNOLOGY (JP) 2012-03-06 US disclosed
US-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME MURORAN INSTITUTE OF TECHNOLOGY (JP) 2011-09-15 US disclosed
US-20110092662-A1 AROMATIC POLYESTER NITTA CORPORATION (JP) 2011-04-21 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 (1 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-20110224343-A1 MODIFIER FOR AROMATIC POLYESTER AND AROMATIC POLYESTER RESIN COMPOSITION COMPRISING THE SAME F12, PHAX, WDR82 ALOX15 1966/4885ALDH1A1 1882/4885LMNA 2207/4885

“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.