SCHEMBL281830

SCHEMBL281830

Oc1ccc2c(c1)CCO2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.56
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
ERN1 O75460 3/20 0.50
CYP3A4 P08684 1/20 0.48
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47
DYRK1A Q13627 3/20 0.47
ESR1 P03372 1/20 0.47
ESR2 Q92731 1/20 0.47
DYRK2 Q92630 1/20 0.45

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
Ethane SCHEMBL28204754 0.96 PRKCI (0.53) PRKCIMAOAMAOBERN1CYP3A4
SCHEMBL459693 0.88 CTNNB1 (0.49) PRKCIMAOAMAOBERN1CYP3A4
SCHEMBL29674920 0.88 CTNNB1 (0.49) PRKCIMAOAMAOBERN1CYP3A4
SCHEMBL28874219 0.86 CTNNB1 (0.48) PRKCIMAOAMAOBERN1CYP3A4
SCHEMBL281673 0.83 MAOA (0.56) PRKCIMAOAMAOBERN1CYP3A4
Trimethylammonium SCHEMBL27715779 0.81 CTNNB1 (0.44) PRKCIMAOAMAOBCYP3A4DYRK1A
SCHEMBL26777072 0.80 MAOA (0.64) PRKCIMAOAMAOBCYP3A4ESR1
SCHEMBL10770264 0.79 ESR2 (0.45) PRKCIMAOAMAOBERN1CYP3A4
SCHEMBL8344049 0.79 MAOA (0.45) PRKCIMAOAMAOBERN1CYP3A4
SCHEMBL3871171 0.78 MAPT (0.54) PRKCIERN1HDAC3HDAC4HDAC1

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 1061 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122062-A Quantum dot ink and preparation method of quantum dot film TCL集团股份有限公司 2021-07-16 CN claimed
EP-2534470-B1 ANTIOXIDANT PROTECTION OF A CHEMICAL SENSOR MEDTRONIC MINIMED INC (US) 2016-08-10 EP claimed
US-9174976-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2015-11-03 US claimed
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. (US) 2015-01-29 US claimed
US-8940544-B2 Antioxidant protection of a chemical sensor MEDTRONIC MINIMED, INC. (US) 2015-01-27 US claimed
US-8759373-B2 Cyanoisoquinoline compounds and methods of use thereof FIBROGEN, INC. (US) 2014-06-24 US claimed
EP-2534470-A1 ANTIOXIDANT PROTECTION OF A CHEMICAL SENSOR Glumetrics, Inc. (US) 2012-12-19 EP claimed
EP-2476669-A1 Cyanoisoquinoline compounds and methods of use thereof Fibrogen, Inc. (US) 2012-07-18 EP claimed
US-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF FIBROGEN, INC. 2012-07-12 US claimed
EP-2044028-B1 CYANOISOQUINOLINE COMPOUNDS THAT STABILIZE HYPOXIA INDUCIBLE FACTOR (HIF) FIBROGEN INC (US) 2012-05-16 EP claimed
US-6686140-B2 Silver halide photosensitive material FUJI PHOTO FILM CO., LTD. (JP) 2004-02-03 US claimed
US-20030224309-A1 Silver halide photosensitive material FUJI PHOTO FILM CO., LTD. 2003-12-04 US claimed
WO-2003099762-A1 AGENTS AND METHODS FOR THE TREATMENT OF DISORDERS ASSOCIATED WITH OXIDATIVE STRESS MONASH UNIVERSITY (AU) 2003-12-04 WO claimed
WO-2003009807-A2 CYTOPROTECTIVE COMPOUNDS, PHARMACEUTICAL AND COSMETIC FORMULATIONS, AND METHODS GALILEO LABORATORIES, INC. (US) 2003-02-06 WO claimed
US-4906559-A Light-sensitive silver halide photographic material KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1990-03-06 US claimed
US-4243747-A MAGENTA COUPLER, 2,5-BIS/1*,1*-DIMETHYLBUTYL/HYDROQUINONE FUJI PHOTO FILM CO., LTD. (JP) 1981-01-06 US claimed
US-4138259-A Color photographic light-sensitive material FUJI PHOTO FILM CO., LTD. (JP) 1979-02-06 US claimed
US-4113488-A PHENOLIC COMPOUND AND SYNERGISTIC SULFIDE OR SULFOXIDE FUJI PHOTO FILM CO., LTD. (JP) 1978-09-12 US claimed
US-3951660-A HETEROCYCLIC TONER COMPOUND AGFA-GEVAERT, A.G. (DT) 1976-04-20 US claimed
US-3933507-A LIGHT INSENSITIVE SILVER SALT, POLYMETHINE SENSITIZER AGFA-GEVAERT, A.G. (DT) 1976-01-20 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20120178755-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 PRKCI 947/4885MAOA 2421/4885MAOB 1624/4885
US-20150031696-A1 CYANOISOQUINOLINE COMPOUNDS AND METHODS OF USE THEREOF HIF1AN, HIF1A, EGLN3 PRKCI 947/4885MAOA 2421/4885MAOB 1624/4885

“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.