SCHEMBL128387

SCHEMBL128387

CCOC(=O)c1cccc(CO)c1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.72
CYP4A11 Q02928 2/20 0.72
MEP1B Q16820 1/20 0.58
CA2 P00918 2/20 0.54
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
MAPT P10636 2/20 0.53
CA12 O43570 1/20 0.53
CA1 P00915 1/20 0.53
CA7 P43166 1/20 0.53
CA9 Q16790 1/20 0.53
CA14 Q9ULX7 1/20 0.53
ALDH1A1 P00352 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
TSHR P16473 1/20 0.51
KMT2A Q03164 1/20 0.51
KDM4E B2RXH2 1/20 0.50
LOXL2 Q9Y4K0 1/20 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
SCHEMBL1996600 0.91 CYP4F2 (0.61) CYP4F2CYP4A11NPC1RAB9AMAPT
SCHEMBL129801 0.89 CYP4F2 (0.71) CYP4F2CYP4A11MEP1BCA2NPC1
SCHEMBL12523791 0.87 CYP4F2 (0.83) CYP4F2CYP4A11MEP1BCA2NPC1
SCHEMBL3166778 0.87 CYP4F2 (0.57) CYP4F2CYP4A11MEP1BCA2NPC1
SCHEMBL2089661 0.86 CYP4F2 (0.68) CYP4F2CYP4A11MEP1BCA2NPC1
SCHEMBL3172281 0.85 CYP4F2 (0.56) CYP4F2CYP4A11MEP1BCA2NPC1
SCHEMBL110276 0.85 CYP4F2 (0.65) CYP4F2CYP4A11CA2NPC1RAB9A
SCHEMBL2450193 0.85 LOXL2 (0.71) CYP4F2CYP4A11MEP1BCA2NPC1
SCHEMBL129800 0.85 CYP4F2 (0.66) CYP4F2CYP4A11MEP1BCA2NPC1
SCHEMBL12035616 0.85 CYP4F2 (0.75) CYP4F2CYP4A11MEP1BCA2NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2900645-A1 3-PHENYLISOXAZOLIN DERIVATIVES WITH HERBICIDAL ACTION Bayer CropScience AG (DE) 2015-08-05 EP disclosed
US-8450319-B2 Pyrrolopyridazinone compound UBE INDUSTRIES, LTD. (JP) 2013-05-28 US 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
EP-1982986-B1 PYRROLOPYRIDAZINONE COMPOUND AS PDE4 INHIBITOR UBE INDUSTRIES (JP) 2012-03-07 EP disclosed
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP disclosed
EP-1646608-B1 TRICYCLIC DERIVATIVES OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, THEIR PREPARATIONS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM JE IL PHARMACEUTICAL CO LTD (KR) 2011-03-02 EP disclosed
US-20090036453-A1 Pyrrolopyridazinone Compound UBE INDUSTRIES, LTD. (JP) 2009-02-05 US disclosed
EP-1982986-A1 PYRROLOPYRIDAZINONE COMPOUND Ube Industries, Ltd. (JP) 2008-10-22 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
CN-100393698-C Tricyclic derivatives or pharmaceutically acceptable salts thereof, their preparation and pharmaceutical compositions containing them JE IL PHARMACEUTICAL CO LTD (KR) 2008-06-11 CN disclosed
US-6485657-B1 Gamma-ray stabilizer and thermoplastic polymer compound including the said stabilizer TEIJIN, LIMITED (JP) 2002-11-26 US disclosed
US-6476021-B1 Compounds having cGMP-PDE inhibitory effect MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2002-11-05 US disclosed
EP-1221440-A1 Benzoheterocyclic derivatives useful as vasopressin or oxytocin modulators Otsuka Pharmaceutical Company, Limited (JP) 2002-07-10 EP disclosed
US-20020049194-A1 Benzoheterocyclic derivatives OGAWA HIDENORI (JP) 2002-04-25 US disclosed
US-6335327-B1 Benzoheterocyclic derivatives OTSUKA PHARMACEUTICALS CO., LTD. (JP) 2002-01-01 US disclosed
EP-1048666-A1 NOVEL COMPOUNDS HAVING cGMP-PDE INHIBITORY EFFECT MOCHIDA PHARMACEUTICAL CO., LTD. (JP) 2000-11-02 EP disclosed
US-6096735-A Benzoheterocyclic derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 2000-08-01 US disclosed
EP-1004621-A1 GAMMA-RAY STABILIZER AND THERMOPLASTIC POLYMER COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 2000-05-31 EP disclosed
EP-0765314-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-04-02 EP disclosed
WO-1995034540-A1 BENZOHETEROCYCLIC DERIVATIVES USEFUL AS VASOPRESSIN OR OXYTOCIN MODULATORS OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-12-21 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 (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-20020049194-A1 Benzoheterocyclic derivatives AVPR2, AVPR1A, AVPR1B CYP4F2 1670/4885CYP4A11 558/4885MEP1B 728/4885
US-20090036453-A1 Pyrrolopyridazinone Compound CBR3, CBR1, CYC1 CYP4F2 105/4885CYP4A11 82/4885MEP1B 1567/4885

“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.