SCHEMBL128776

SCHEMBL128776

CCOC(=O)c1[c]ccc(C(=O)OCC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.53
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
CA7 P43166 3/20 0.53
CA9 Q16790 3/20 0.53
CA14 Q9ULX7 3/20 0.53
ESR1 P03372 1/20 0.49
ESR2 Q92731 1/20 0.49
CYP4F2 P78329 1/20 0.48
CYP4A11 Q02928 1/20 0.48
HSD17B2 P37059 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAOA P21397 1/20 0.47
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
KMT2A Q03164 2/20 0.45
MAPT P10636 2/20 0.45
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6950385 0.87 LMNA (0.53) ESR1LMNACYP1A2CYP3A4MAOA
SCHEMBL8900698 0.85 RAB9A (0.47) CA12CA1CA2CA7CA9
SCHEMBL11833488 0.84 TSHR (0.44) CA12CA1CA2CA7CA9
SCHEMBL7492169 0.84 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6948241 0.84 ESR1 (0.54) ESR1LMNACYP1A2CYP3A4NPC1
SCHEMBL6426350 0.83 CA12 (0.51) CA12CA1CA2CA7CA9
SCHEMBL9658861 0.83 CA12 (0.57) CA12CA1CA2CA7CA9
SCHEMBL6950073 0.82 ALDH1A1 (0.47) NPC1RAB9AMAPTALDH1A1TSHR
SCHEMBL9187932 0.81 TSHR (0.44) CA12CA1CA2CA7CA9
SCHEMBL11839343 0.81 ALOX15 (0.46) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20010041794-A1 Nucleotide analogs GILEAD SCIENCES, INC. 2001-11-15 US claimed
US-5798340-A ANTITUMOR/ANTINEOPLASTIC ACTIITY, VIRICIDES; BROAD SPECTRUM MICROBIOCIDES; THIOPHOSPHONATES HYDROLYZABLE IN VIVO; ORAL ADMINISTRATION; BIOAVAILABILITY; NONTOXIC; POTENCY GILEAD SCIENCES, INC. (US) 1998-08-25 US claimed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US disclosed
US-8350995-B2 Optical film, production method of optical film, optically-compensatory film, polarizing plate and liquid crystal display device FUJIFILM CORPORATION (JP) 2013-01-08 US disclosed
CN-101326044-B Polarizing plate protective film, method for producing film, polarizing plate, and liquid crystal display device KONICA MINOLTA OPTO INC 2012-05-23 CN disclosed
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
US-8147638-B2 Polarizing plate and display using the same KONICA MINOLTA OPTO INC. (JP) 2012-04-03 US disclosed
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
US-20110155306-A1 POLARIZING PLATE AND DISPLAY USING THE SAME KONICA MINOLTA OPTO, INC. (JP) 2011-06-30 US disclosed
US-7968019-B2 Optical compensation film, method for producing optical compensation film, polarization plate and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2011-06-28 US disclosed
US-7939002-B2 Retardation film, method for producing the same, polarizing plate and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2011-05-10 US disclosed
CN-1067992-C Substituted thiazolidine derivatives and pharmaceutical compositions containing them and use thereof OTSUKA PHARMA CO LTD (JP) 2001-07-04 CN disclosed
EP-0936218-A1 NOVEL BENZIMIDAZOLE DERIVATIVES MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 1999-08-18 EP disclosed
WO-1998043649-A2 AGE PRODUCTION INHIBITORY COMPOSITION COMPRISING A MAILLARD REACTION INHIBITOR AND VITAMIN B¿6? OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-10-08 WO disclosed
CN-1184105-A Substituted thiazolidine derivatives and pharmaceutical compositions containing them and use thereof OTSUKA PHARMA CO LTD (JP) 1998-06-10 CN disclosed
CN-1037842-C Substituted thiazolidine derivatives, pharmaceutical compositions and uses thereof OTSUKA PHARMA CO LTD (JP) 1998-03-25 CN disclosed
US-5677322-A THERAPY FOR AGING, DIABETES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
CN-1106982-A Maillard reaction inhibitor OTSUKA PHARMA CO LTD (JP) 1995-08-16 CN disclosed
EP-0638075-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-02-15 EP disclosed
WO-1994019335-A1 THIAZOLE OR IMIDAZOLE DERIVATIVES AS MAILLARD REACTION INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-01 WO 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-20010041794-A1 Nucleotide analogs PNP, NUDT1, TYMP CA12 4586/4885CA1 3746/4885CA2 4285/4885

“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.