SCHEMBL2095064

SCHEMBL2095064

[CH]c1cc(OC)cc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
CYP1A1 P04798 6/20 0.50
CYP1B1 Q16678 6/20 0.50
CYP3A4 P08684 3/20 0.50
CYP1A2 P05177 3/20 0.50
CYP2E1 P05181 2/20 0.50
CYP2C8 P10632 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2A6 P11509 2/20 0.50
CYP2C9 P11712 2/20 0.50
CYP4B1 P13584 2/20 0.50
CYP2B6 P20813 2/20 0.50
CYP3A5 P20815 2/20 0.50
CYP2A7 P20853 2/20 0.50
CYP3A7 P24462 2/20 0.50
CYP2F1 P24903 2/20 0.50
CYP2C18 P33260 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP2J2 P51589 2/20 0.50
CYP4F2 P78329 2/20 0.50

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
SCHEMBL2809094 0.94 ALDH1A1 (0.59) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL7590401 0.84 ALDH1A1 (0.48) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
1,3,5-Trimethoxybenzene SCHEMBL28493 0.83 ALDH1A1 (1.00) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL17310933 0.82 ALDH1A1 (0.46) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL2954516 0.80 ALDH1A1 (0.79) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
1,3,5-Trimethoxybenzene SCHEMBL28416912 0.79 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
1,3,5-Trimethoxybenzene SCHEMBL28557531 0.79 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
1,3,5-Trimethoxybenzene SCHEMBL28740008 0.79 ALDH1A1 (0.92) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL1402759 0.73 ALDH1A1 (0.79) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2
SCHEMBL9488488 0.73 ALDH1A1 (0.79) ALDH1A1CYP1A1CYP1B1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0286929-A2 Pyrrolidine derivatives, process for their preparation, agents containing them as well as their use HOECHST AKTIENGESELLSCHAFT (DE) 1988-10-19 EP claimed
US-8163753-B2 2-(4-(4-(4-chlorophenyl)oxazol-2-yl)phenoxymethyl)-2-methyl-6-nitro-2,3-dihydroimidazo[2,1-b]oxazole; bactericide; excellent bactericidal action against Mycobacterium tuberculosis, multi-drug-resistant Mycobacterium tuberculosis, and atypical acid-fast bacteria OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-04-24 US disclosed
EP-1392683-B1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THEIR USE AS ANTICANCER AGENTS CYTOVIA INC (US) 2009-12-02 EP 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
EP-1678185-A1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-07-12 EP disclosed
US-7053117-B2 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2006-05-30 US disclosed
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2006-02-16 US disclosed
EP-1392683-A4 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2005-10-26 EP disclosed
WO-2005042542-A1 2,3-DIHYDRO-6-NITROIMIDAZO (2,1-B) OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 WO disclosed
EP-1392683-A1 SUBSTITUTED 4 i H /i -CHROMENES AND ANALOGS AS ACTIVATORS OFGASP ASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2004-03-03 EP disclosed
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. 2003-04-03 US disclosed
WO-2002092594-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2002-11-21 WO disclosed
US-4992347-A Marking COURTAULDS PLC (GB) 1991-02-12 US disclosed
EP-0301057-A1 Forming a permanent image in a layer COURTAULDS PLC (GB) 1989-02-01 EP disclosed
EP-0301428-A2 Benzyldiaminopyrimidine derivatives and their use as medicaments EGIS GYOGYSZERGYAR (HU) 1989-02-01 EP disclosed
WO-1988006306-A1 MARKING COURTAULDS PLC (GB) 1988-08-25 WO disclosed
EP-0279600-A1 Marking COURTAULDS PLC (GB) 1988-08-24 EP disclosed
US-4182629-A Photochromic compounds HELLER HAROLD G (GB) 1980-01-08 US disclosed
US-4145536-A Photochromic compounds HELLER HAROLD G 1979-03-20 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 (3 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-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 ALDH1A1 412/4885CYP1A1 1306/4885CYP1B1 862/4885
US-20060035925-A1 SUBSTITUTED 4H-CHROMENES AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CASP4, CASP3, CASP7 ALDH1A1 2014/4885CYP1A1 111/4885CYP1B1 124/4885
US-20030065018-A1 Substituted 4H-chromenes and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP5, CASP1 ALDH1A1 774/4885CYP1A1 48/4885CYP1B1 50/4885

“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.