SCHEMBL2925752

SCHEMBL2925752

C=CCOC(=O)c1ccc(O)cc1O

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 1/20 0.67
CA12 O43570 5/20 0.63
CA1 P00915 5/20 0.63
CA2 P00918 5/20 0.63
CA7 P43166 5/20 0.63
CA9 Q16790 5/20 0.63
CA14 Q9ULX7 5/20 0.63
CYP3A4 P08684 1/20 0.59
PDK2 Q15119 1/20 0.54
PDK4 Q16654 1/20 0.54
ALDH1A1 P00352 2/20 0.51
TSHR P16473 2/20 0.51
HSD17B10 Q99714 1/20 0.51
POLB P06746 1/20 0.49
HSP90AA1 P07900 1/20 0.49
CES2 O00748 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
HSP90AB1 P08238 1/20 0.46

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
SCHEMBL29220172 0.88 CYP3A4 (0.66) SERPINE1CA12CA1CA2CA7
SCHEMBL2966217 0.87 CA12 (0.63) SERPINE1CA12CA1CA2CA7
SCHEMBL15671718 0.85 CYP3A4 (0.57) SERPINE1CA12CA1CA2CA7
SCHEMBL788648 0.84 CYP3A4 (0.63) SERPINE1CA12CA1CA2CA7
SCHEMBL9127373 0.84 CYP3A4 (0.56) SERPINE1CA12CA1CA2CA7
SCHEMBL9124680 0.84 CYP3A4 (0.56) SERPINE1CA12CA1CA2CA7
SCHEMBL8106325 0.84 GAA (0.57) SERPINE1CA12CA1CA2CA7
SCHEMBL7647241 0.84 CYP3A4 (0.56) SERPINE1CA12CA1CA2CA7
SCHEMBL11267007 0.83 CYP3A4 (0.54) SERPINE1CA12CA1CA2CA7
SCHEMBL10693946 0.83 CYP3A4 (0.54) SERPINE1CA12CA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4217602-A None JP disclosed
EP-3590940-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2021-06-09 EP disclosed
US-20200339570-A1 BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
US-10669268-B2 Bicyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2020-06-02 US disclosed
CN-110526843-A Inhibit calcium/calmodulin dependent protein kinase II compound and its application ACADEMIA SINICA 2019-12-03 CN disclosed
EP-2900669-B1 HEXAHYDROPYRROLO[3,4-C]PYRROLE DERIVATIVES AND RELATED COMPOUNDS AS AUTOTAXIN (ATX) INHIBITORS AND AS INHIBITORS OF THE LYSOPHOSPHATIDIC ACID (LPA) PRODUCTION FOR TREATING E.G. RENAL DISEASES HOFFMANN LA ROCHE (CH) 2019-09-04 EP disclosed
US-20180118741-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-05-03 US disclosed
CN-105268100-B Nerve modulation apparatus and method 安特罗麦迪克斯公司 2018-04-17 CN disclosed
CN-106999543-A Ophthalmic compositions comprising cyclosporine and trehalose 汇恩斯株式会社 2017-08-01 CN disclosed
US-20170050960-A1 NEW BICYCLIC DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2017-02-23 US disclosed
US-20070004726-A1 Pharmaceutical/cosmetic compositions comprising novel ligands that activate RAR receptors GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2007-01-04 US disclosed
EP-1692572-A2 ALKALINE, POST PLASMA ETCH/ASH RESIDUE REMOVERS AND PHOTORESIST STRIPPING COMPOSITIONS CONTAINING METAL-HALIDE CORROSION INHIBITORS Mallinckrodt Baker, Inc. (US) 2006-08-23 EP disclosed
WO-2005043245-A2 ALKALINE, POST PLASMA ETCH/ASH RESIDUE REMOVERS AND PHOTORESIST STRIPPING COMPOSITIONS CONTAINING METAL-HALIDE CORROSION INHIBITORS MALLINCKRODT BAKER INC. (US) 2005-05-12 WO disclosed
US-5688817-A SKIN DISORDERS, ANTIINFLAMMATORY AGENTS, IMMUNOLOGY AND RHEUMATIC DISORDERS CENTRE INT'L. DE RECHERCHES DERMATOLOGIQUES GALDERMA (FR) 1997-11-18 US disclosed
US-5668156-A TREATMENT OF WARTS, ACNE, PSORIASIS, CORNEOPATHIES, KETONES CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-09-16 US disclosed
US-5597839-A TREATMENT OF SKIN DISORDERS OR ANTIINFLAMMATORY AGENTS CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1997-01-28 US disclosed
US-5567721-A AROMATIC UREA COMPOUND FOR SKIN DISORDER, RHEUMATIC DISEASE, RESPIRATORY DISORDER AND EYE DISORDER CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 1996-10-22 US disclosed
US-5439925-A Skin disorders, rheumatic diseases CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-08-08 US disclosed
US-5387594-A Administering for topical and systemic treatment of CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES GALDERMA (CIRD GALDERMA) (FR) 1995-02-07 US disclosed
JP-H04217602-A NEMATICIDE TAKASAGO INTERNATL CORP 1992-08-07 JP 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 (5 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-10669268-B2 Bicyclic derivatives CCNY, BICRA, UQCRB SERPINE1 4702/4885CA12 3175/4885CA1 3286/4885
US-20170050960-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB SERPINE1 4762/4885CA12 3299/4885CA1 3541/4885
US-20180118741-A1 NEW BICYCLIC DERIVATIVES BICRA, CCNY, UQCRB SERPINE1 4762/4885CA12 3299/4885CA1 3541/4885
US-20200339570-A1 BICYCLIC DERIVATIVES CCNY, BICRA, UQCRB SERPINE1 4702/4885CA12 3175/4885CA1 3286/4885
US-20070004726-A1 Pharmaceutical/cosmetic compositions comprising novel ligands that activate RAR receptors RARA, RARG, RARB SERPINE1 2871/4885CA12 3791/4885CA1 3936/4885

“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.