SCHEMBL2095593

SCHEMBL2095593

COc1ccc(Cc2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 1.00
ALDH1A1 P00352 5/20 0.65
GAA P10253 1/20 0.65
ATM Q13315 2/20 0.64
POLB P06746 1/20 0.64
KDM4E B2RXH2 1/20 0.63
PPARG P37231 1/20 0.61
PPARD Q03181 1/20 0.61
PPARA Q07869 1/20 0.61
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CYP19A1 P11511 1/20 0.59
TUBB4A P04350 1/20 0.58
TUBB P07437 1/20 0.58
TUBA3C P0DPH7 1/20 0.58
TUBA1B P68363 1/20 0.58
TUBA4A P68366 1/20 0.58
TUBB4B P68371 1/20 0.58
TUBB3 Q13509 1/20 0.58

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
SCHEMBL29449205 0.95 CA2 (0.91) CA2ALDH1A1GAAATMPOLB
SCHEMBL28164756 0.95 CA2 (0.91) CA2ALDH1A1GAAATMPOLB
SCHEMBL16181225 0.89 CA2 (0.80) CA2ALDH1A1GAAATMPOLB
SCHEMBL83495 0.89 CA2 (0.80) CA2ALDH1A1GAAATMPOLB
SCHEMBL9828253 0.88 CA2 (0.77) CA2ALDH1A1GAAATMPOLB
Ammonia Solution, Strong SCHEMBL4861530 0.88 CA2 (0.77) CA2ALDH1A1GAAATMPOLB
SCHEMBL9660217 0.86 CA2 (0.74) CA2ALDH1A1GAAATMPOLB
SCHEMBL16641094 0.85 CYP19A1 (0.77) CA2ALDH1A1ATMPOLBKDM4E
SCHEMBL31157848 0.85 CYP19A1 (0.77) CA2ALDH1A1ATMPOLBKDM4E
SCHEMBL12682376 0.85 CA2 (0.73) CA2ALDH1A1GAAATMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTAMED INC (US) 2017-01-26 US disclosed
US-9334251-B2 Compounds for the treatment of neurodegenerative diseases PROTAMED, INC. (US) 2016-05-10 US disclosed
US-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PROTEOTECH INC. (US) 2015-10-01 US disclosed
US-9085549-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC (US) 2015-07-21 US disclosed
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2015-01-08 US disclosed
US-8865754-B2 Compounds for the treatment of neurodegenerative diseases PROTEOTECH INC. (US) 2014-10-21 US disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
WO-2012118935-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PROTEOTECH INC (US) 2012-09-07 WO disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed
US-4773966-A Oxidative degradation of lignin with inorganic metal complexes REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 1988-09-27 US disclosed
EP-0057740-A1 Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1982-08-18 EP disclosed
US-4275906-A Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1981-06-30 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 (6 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-20150274681-A1 Compounds for the treatment of Neurodegenerative Diseases PSEN1, PSEN2, GRN CA2 2616/4885ALDH1A1 4541/4885GAA 184/4885
US-20150011604-A1 Compounds for the treatment of neurodegenerative diseases SNCA, MAPT, PARK7 CA2 4352/4885ALDH1A1 3487/4885GAA 25/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 CA2 2002/4885ALDH1A1 412/4885GAA 3982/4885
US-20170022174-A1 COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES PSEN1, PSEN2, GRN CA2 2616/4885ALDH1A1 4541/4885GAA 184/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 CA2 121/4885ALDH1A1 3972/4885GAA 2039/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 CA2 165/4885ALDH1A1 4048/4885GAA 3637/4885

“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.