SCHEMBL1950385

SCHEMBL1950385

CC(C)c1c(C(=O)O)ccc(C(=O)O)c1C(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
ALDH1A1 P00352 5/20 0.47
ACE2 Q9BYF1 1/20 0.44
ALOX15 P16050 1/20 0.43
SELL P14151 1/20 0.41
SELP P16109 1/20 0.41
MAPT P10636 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
TSHR P16473 2/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA14 Q9ULX7 2/20 0.39
LDHA P00338 2/20 0.39
LDHB P07195 2/20 0.39
ALB P02768 1/20 0.39
HAAO P46952 1/20 0.39
GABRP O00591 1/20 0.39

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
SCHEMBL6838116 0.89 SELL (0.48) CYP1A2ALDH1A1ACE2ALOX15SELL
SCHEMBL3048822 0.89 ACE2 (0.50) CYP1A2ALDH1A1ACE2ALOX15SELL
SCHEMBL15123952 0.86 CYP1A2 (0.42) CYP1A2ALDH1A1ACE2ALOX15SELL
SCHEMBL3389839 0.85 ALDH1A1 (0.52) ALDH1A1ALOX15MAPTHDAC8TSHR
SCHEMBL39247 0.83 SELL (0.57) CYP1A2ALDH1A1ALOX15SELLSELP
SCHEMBL728753 0.82 CYP1A2 (0.48) CYP1A2ALDH1A1ACE2ALOX15SELL
SCHEMBL15124255 0.81 GABRP (0.40) CYP1A2ALDH1A1ACE2ALOX15MAPT
SCHEMBL30410098 0.81 HAAO (0.39) CYP1A2ALDH1A1ACE2ALOX15MAPT
SCHEMBL27430635 0.81 LDHA (0.46) CYP1A2ALDH1A1ACE2LDHALDHB
SCHEMBL2928246 0.81 KDM4E (0.42) CYP1A2ALDH1A1ACE2ALOX15MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11155675-B2 Method of regioselective synthesis of polyesters from asymmetric diols VERSALIS S.P.A. (IT) 2021-10-26 US disclosed
EP-2185609-B1 GAS-PHASE POLYMERIZATION PROCESS GRACE W R & CO (US) 2021-01-27 EP disclosed
EP-3491044-B1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS VERSALIS SPA (IT) 2020-08-26 EP disclosed
US-20200181319-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS VERSALIS S.P.A. (IT) 2020-06-11 US disclosed
EP-3491044-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS Versalis S.p.A. (IT) 2019-06-05 EP disclosed
WO-2018020440-A9 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS VERSALIS S.P.A. (IT) 2019-03-07 WO disclosed
WO-2018020440-A1 METHOD OF REGIOSELECTIVE SYNTHESIS OF POLYESTERS FROM ASYMMETRIC DIOLS VERSALIS S.P.A. (IT) 2018-02-01 WO disclosed
US-9419282-B2 Organic active materials for batteries UCHICAGO ARGONNE, LLC (US) 2016-08-16 US disclosed
US-20130189571-A1 ORGANIC ACTIVE MATERIALS FOR BATTERIES UCHICAGO ARGONNE, LLC 2013-07-25 US disclosed
US-8324327-B2 Gas-phase polymerization process DOW GLOBAL TECHNOLOGIES LLC (US) 2012-12-04 US disclosed
US-20030064882-A1 Olefin polymerization catalyst compositions and method of preparation UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION 2003-04-03 US disclosed
WO-2002096558-A1 IMPROVED OLEFIN POLYMERIZATION CATALYST COMPOSITIONS AND METHOD OF PREPARATION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY COR PORATION (US) 2002-12-05 WO disclosed
WO-2002077063-A1 DIRT-REMOVING POLYESTERS BASF AKTIENGESELLSCHAFT (DE) 2002-10-03 WO disclosed
US-5393902-A Reacting diester with lactam or salt of aminocarboxylic acid in alcohol solvent, recovering product LEVER BROTHERS COMPANY, DIVISION OF CONOPCO, INC. (US) 1995-02-28 US disclosed
US-5281567-A Prepared from titanium halide, halohydrocarbon, electron donor, carbonated magnesium ethoxide, and phenolic compound SHELL OIL COMPANY (US) 1994-01-25 US disclosed
US-5229342-A Complex SHELL OIL COMPANY (US) 1993-07-20 US disclosed
US-5229344-A Coordination catalyst having a component of a carbonated magnesium ethoxide and an acidic substituted phenol; uniform polymer particles SHELL OIL COMPANY (US) 1993-07-20 US disclosed
US-5185410-A Tetravalent titanium halide, halohydrocarbon, electron donor, carbonate magnesium ethoxide-phenolic compound reaction product solid SHELL OIL COMPANY (US) 1993-02-09 US disclosed
US-5162277-A Carbonated Magnesium Ethoxide SHELL OIL COMPANY (US) 1992-11-10 US disclosed
US-5151399-A Magnesium, a titanium tetraalkoxide, a alkyl borate ester and an alkanol SHELL OIL COMPANY (US) 1992-09-29 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 (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-20130189571-A1 ORGANIC ACTIVE MATERIALS FOR BATTERIES SOD1, SOD3, CAT CYP1A2 1142/4885ALDH1A1 703/4885ACE2 1587/4885

“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.