SCHEMBL4281872

SCHEMBL4281872

COc1ccc(C(=O)C=O)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.66
CYP3A4 P08684 1/20 0.66
CYP2C9 P11712 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
ABCG2 Q9UNQ0 5/20 0.65
CA12 O43570 1/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
CA4 P22748 1/20 0.63
CA6 P23280 1/20 0.63
CA7 P43166 1/20 0.63
TPMT P51580 1/20 0.63
CA9 Q16790 1/20 0.63
CA14 Q9ULX7 1/20 0.63
MAPT P10636 5/20 0.63
LMNA P02545 3/20 0.63
TNFRSF1A P19438 2/20 0.59
ABCB1 P08183 1/20 0.59
MEN1 O00255 3/20 0.56

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
Water SCHEMBL30477093 0.98 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
Water SCHEMBL29060509 0.98 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5462974 0.88 TSHR (0.69) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL5456801 0.87 ABCG2 (0.51) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL19655666 0.85 SLC22A6 (0.68) CYP1A2ABCG2MEN1KMT2AALDH1A1
SCHEMBL28245506 0.85 TUBB1 (0.57) ABCG2MEN1KMT2AALDH1A1
SCHEMBL6620113 0.84 HTT (0.67) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30307376 0.83 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL547153 0.83 CYP1A2 (0.63) CYP1A2CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL9114398 0.83 PRSS1 (0.51) CYP1A2CYP3A4CYP2C9TSHRCYP2C19

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-3663366-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2025-01-08 EP disclosed
US-20240199561-A1 INHIBITORS OF DYRK AND PIM COLD SPRING HARBOR LABORATORY (US) 2024-06-20 US disclosed
EP-4281442-A1 INHIBITORS OF DYRK AND PIM COLD SPRING HARBOR LABORATORY (US) 2023-11-29 EP disclosed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
WO-2022159436-A1 INHIBITORS OF DYRK AND PIM COLD SPRING HARBOR LABORATORY (US) 2022-07-28 WO disclosed
US-11028235-B2 Polycarboxylated compounds and compositions containing same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2021-06-08 US disclosed
US-9903028-B2 Nitroxyl-mediated oxidation of lignin and polycarboxylated products WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2018-02-27 US disclosed
US-20170342219-A1 POLYCARBOXYLATED COMPOUNDS AND COMPOSITIONS CONTAINING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-11-30 US disclosed
US-20170342219-A1 POLYCARBOXYLATED COMPOUNDS AND COMPOSITIONS CONTAINING SAME WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-11-30 US disclosed
US-20170342574-A1 NITROXYL-MEDIATED OXIDATION OF LIGNIN AND POLYCARBOXYLATED PRODUCTS WISCONSIN ALUMNI RESEARCH FOUNDATION 2017-11-30 US disclosed
WO-2005039587-A1 HETEROCYCLE-SUBSTITUTED PTERIDINE DERIVATIVES AND THEIR USE IN THERAPY 4 AZA BIOSCIENCE NV (BE) 2005-05-06 WO disclosed
WO-2005025574-A2 PTERIDINE DERIVATIVES FOR THE TREATMENT OF SEPTIC SHOCK AND TNF-α-RELATED DISEASES. 4 AZA BIOSCIENCE NV (BE) 2005-03-24 WO disclosed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO disclosed
US-20040077859-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2004-04-22 US disclosed
WO-2002094796-A2 BENZO[G]QUINOXALINE DERIVATIVES AS EFFECTIVE COMPOUNDS AGAINST INFECTIOUS DISEASES AXXIMA PHARMACEUTICALS AG (DE) 2002-11-28 WO disclosed
US-RE36256-E ADMINISTERING ARYL-SUBSTITUTED QUINOXALINE DERIVATIVES AS ANTIPROLIFERATIVE, ANTICARCINOGENIC AND ANTITUMOR AGENTS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1999-07-20 US disclosed
US-5795889-A INHIBITING CELL GROWTH WITH ENZYME INHIBITORS FOR SKIN DISORDERS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-08-18 US disclosed
US-5480883-A Bis mono- and bicyclic aryl and heteroaryl compounds which inhibit EGF and/or PDGF receptor tyrosine kinase RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1996-01-02 US disclosed
US-4880840-A ANIMAL GROWTH REGULATORS BAYER AKTIENGESELLSCHAFT (DE) 1989-11-14 US disclosed
EP-0253258-A2 Arylethanolhydroxylamines, method for their production and their application as performance promoters BAYER AG (DE) 1988-01-20 EP 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-20040077859-A1 Immunosuppressive effects of pteridine derivatives TPMT, NFATC1, MALT1 CYP1A2 1548/4885CYP3A4 693/4885CYP2C9 616/4885
US-20240199561-A1 INHIBITORS OF DYRK AND PIM PIM3, PIM2, PIM1 CYP1A2 1070/4885CYP3A4 240/4885CYP2C9 668/4885

“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.