SCHEMBL4323317

SCHEMBL4323317

CC(C)c1cc(CC(=O)O)cc(C(C)C)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
GABRA1 P14867 5/20 0.49
GABRB1 P18505 5/20 0.49
THRA P10827 3/20 0.48
THRB P10828 3/20 0.48
GAA P10253 2/20 0.47
GABRB2 P47870 2/20 0.47
TRPA1 O75762 1/20 0.46
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GABRA4 P48169 1/20 0.44
GABRA6 Q16445 1/20 0.44
MAPT P10636 1/20 0.44
ITGB3 P05106 1/20 0.44
ITGAV P06756 1/20 0.44

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
SCHEMBL8747646 0.82 GSR (0.52) GSRCA1CA2GABRA1GABRB1
SCHEMBL22775015 0.82 THRB (0.43) THRATHRB
SCHEMBL4328080 0.81 TRPA1 (0.61) GSRCA1CA2GABRA1GABRB1
SCHEMBL19610475 0.79 CA1 (0.61) GSRCA1CA2GABRA1GABRB1
SCHEMBL18309170 0.79 THRB (0.43) THRATHRB
SCHEMBL5598887 0.79 THRB (0.49) THRATHRBGAAITGB3ITGAV
SCHEMBL4945325 0.79 GAA (0.61) CA2THRATHRBGAALMNA
SCHEMBL5598871 0.79 HSP90AB1 (0.59) GSRCA1CA2GABRA1GABRB1
SCHEMBL20315028 0.78 HPGD (0.50) CA2THRATHRBGAALMNA
SCHEMBL15239501 0.78 GABRA1 (0.54) GSRCA1CA2GABRA1GABRB1

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-7553976-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) (FR) 2009-06-30 US disclosed
US-7459558-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2008-12-02 US disclosed
US-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS (S.C.R.A.S.) 2008-07-31 US disclosed
US-7122535-B2 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-10-17 US disclosed
US-20050187272-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them DE LASSAUNIERE PIERRE ETIENNE (FR) 2005-08-25 US disclosed
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) 2005-02-24 US disclosed
US-6809088-B2 FOR THERAPY OF STROKE, OF NEURODEGENERATIVE DISEASES AND OF ISCHEMIC OR HEMORRAGIC CARDIAC OR CEREBRAL INFARCTIONS SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2004-10-26 US disclosed
EP-0785927-B1 NOVEL BENZOXAZOLES EURO CELTIQUE SA (LU) 2003-08-27 EP disclosed
US-20030078420-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them IPSEN PHARMA S.A.S. (FR) 2003-04-24 US disclosed
US-6372770-B1 TREATING A MAMMAL SUFFERING FROM A DISEASE STATE SELECTED FROM THE GROUP CONSISTING OF ASTHMA, ALLERGIES, INFLAMMATION, DEPRESSION, DEMENTIA, ATOPIC DISEASES, RHINITIS AND DISEASE STATES ASSOCIATED WITH ABNORMALLY HIGH PHYSIOLOGICAL LEVELS OF EURO-CELTIQUE, S.A. 2002-04-16 US disclosed
EP-0029572-A1 Polyoxymethylene fibrides, process for their manufacture and their use HOECHST AKTIENGESELLSCHAFT (DE) 1981-06-03 EP disclosed
US-4195158-A PRECIPITATION FROM METHANOL-WATER MIXTURE; ENGINEERING PLASTICS HOECHST AKTIENGESELLSCHAFT (DE) 1980-03-25 US disclosed
US-4151346-A Process for preparing oxymethylene polymers in a granular form HOECHST AKTIENGESELLSCHAFT (DE) 1979-04-24 US disclosed
EP-0000765-A1 Process for the preparation of granular oxymethylene polymers having improved mechanical properties HOECHST AKTIENGESELLSCHAFT (DE) 1979-02-21 EP disclosed
US-4111912-A PROCESS FOR THE MANUFACTURE OF COARSE-GRANULAR OXYMETHYLENE POLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed
US-4082729-A PROCESS FOR THE PREPARATION OF OXYMETHYLENE POLYMERS HOECHST AKTIENGESELLSCHAFT (DT) 1978-04-04 US disclosed
US-4046738-A TWO-STAGE COOLING TO JUST BELOW SINTERING TEMPERATURE HOECHST AKTIENGESELLSCHAFT (DT) 1977-09-06 US disclosed
US-4024105-A PLASTICS HOECHST AKTIENGESELLSCHAFT (DT) 1977-05-17 US disclosed
US-3969292-A Stabilized molding compositions based on poly(oxymethylene) HOECHST AKTIENGESELLSCHAFT (DT) 1976-07-13 US disclosed
US-3940365-A PHENOLIC ANTIOXIDANT AND AN UREA OR AN OXALIC ACID DIAMIDE OR AN AZODICARBOXYLIC AMIDE HOECHST AKTIENGESELLSCHAFT (DT) 1976-02-24 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 (4 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-20080182993-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them ADRB2, ADRA2C, PNMT GSR 2103/4885CA1 4028/4885CA2 213/4885
US-20030078420-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TNNI3, TNNT2, TH GSR 421/4885CA1 2779/4885CA2 1565/4885
US-20050187272-A1 New derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TNNI3, TNNT2, HMOX2 GSR 367/4885CA1 2581/4885CA2 1412/4885
US-20050043397-A1 Derivatives of 2-(iminomethyl)amino-phenyl, their preparation, their use as medicaments and the pharmaceutical compositions containing them TYR, MB, F2 GSR 3259/4885CA1 3567/4885CA2 1204/4885

“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.