SCHEMBL4970595

SCHEMBL4970595

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.46
CA12 O43570 2/20 0.46
CA1 P00915 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
ACHE P22303 1/20 0.46
TSHR P16473 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CASP1 P29466 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
TPMT P51580 1/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42

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
SCHEMBL15164796 0.87 CA2 (0.46) CA2CA12CA1CA7CA9
SCHEMBL30881089 0.85 CA2 (0.45) CA2CA12CA1CA7CA9
SCHEMBL12062507 0.85 CYP19A1 (0.54) ACHECYP3A4ALDH1A1
SCHEMBL29209166 0.85 CA2 (0.45) CA2CA12CA1CA7CA9
Ammonia Solution, Strong SCHEMBL8004534 0.84 PDE4A (0.48) TSHRL3MBTL1PDE4APDE4BPDE4C
SCHEMBL9274477 0.83 LMNA (0.41) CA2CA1L3MBTL1CYP3A4HTT
SCHEMBL14934286 0.83 CYP19A1 (0.45) CYP2C9
SCHEMBL11395533 0.83 CASP1 (0.46) CA2CA12CA1CA7CA9
SCHEMBL29732589 0.83 LMNA (0.41) CA2CA1L3MBTL1CYP3A4HTT
SCHEMBL17294217 0.83 MAOB (0.55) CA2TSHRKMT2AHTTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6608232-B1 Acylating an aromatic compound in presence of zeolite or friedel crafts catalyst, reduction to a carbinol and cata-lytic etherification Chimie, Rhodia (FR) 2003-08-19 US claimed
EP-0994838-B1 METHOD FOR ETHERIFYING A BENZYL ALCOHOL, RESULTING PRODUCTS AND APPLICATIONS RHODIA CHIMIE SA (FR) 2003-05-21 EP claimed
US-6362378-B1 REACTION WITH AN ALCOHOL; ZEOLITE CATALYST; PERFUMES RHODIA CHIMIE (FR) 2002-03-26 US claimed
EP-1140758-A1 METHOD FOR PREPARING A BENZYLIC-TYPE ETHER RHODIA CHIMIE (FR) 2001-10-10 EP claimed
CN-1267277-A Method for etherifying benzyl alcohol, resulting products and applications RHODIA CHIMIE SA (FR) 2000-09-20 CN claimed
WO-2000040535-A1 METHOD FOR PREPARING A BENZYLIC-TYPE ETHER RHODIA CHIMIE (FR) 2000-07-13 WO claimed
EP-0994838-A1 METHOD FOR ETHERIFYING A BENZYL ALCOHOL, RESULTING PRODUCTS AND APPLICATIONS RHODIA CHIMIE (FR) 2000-04-26 EP claimed
WO-1999002475-A1 METHOD FOR ETHERIFYING A BENZYL ALCOHOL, RESULTING PRODUCTS AND APPLICATIONS RHODIA CHIMIE (FR) 1999-01-21 WO claimed
US-20080269202-A1 Novel 2,3-benzodiazepine derivatives and their use as antipsychotic agents TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-30 US disclosed
WO-2008124075-A1 NOVEL 2,3-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS ANTIPSYCHOTIC AGENTS TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2008-10-16 WO disclosed
US-6608232-B1 Acylating an aromatic compound in presence of zeolite or friedel crafts catalyst, reduction to a carbinol and cata-lytic etherification Chimie, Rhodia (FR) 2003-08-19 US disclosed
EP-0994838-B1 METHOD FOR ETHERIFYING A BENZYL ALCOHOL, RESULTING PRODUCTS AND APPLICATIONS RHODIA CHIMIE SA (FR) 2003-05-21 EP disclosed
US-6362378-B1 REACTION WITH AN ALCOHOL; ZEOLITE CATALYST; PERFUMES RHODIA CHIMIE (FR) 2002-03-26 US disclosed
US-6320085-B1 REACTING BENZYL ALCOHOL DERIVATIVE WITH 1 TO 3 MOLAR EQUIVALENTS OF SPECIFIED ALCOHOL IN PRESENCE OF ACID, LEWIS ACID, METAL OXIDE OR METAL CARBONATE, ISOLATING RESULTING ETHER, STABILIZING BY ADDITION OF BASE AND/OR ANTIOXIDANT AGRO-CHEMIE NOVENYVEDOSZER GYARTO ERTEKESITO EST FORGALMAZO KFT. (HU) 2001-11-20 US disclosed
EP-0550111-A1 2-Saccharinylmethyl heterocyclic carboxylates useful as proteolytic enzyme inhibitors and pharmaceutical compositions containing them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0550112-A1 2-Saccharinylmethyl aryl and aryloxy acetates useful as proteolytic enzyme inhibitors and pharmaceutical compositions contaning them STERLING WINTHROP INC. (US) 1993-07-07 EP disclosed
EP-0549073-A1 Novel 2-saccharinylmethyl and 4,5,6,7-tetrahydro-2-saccharinylmethyl phosphates, phosphonates and phosphinates useful as proteolytic enzyme inhibitors and compositions and method of use thereof STERLING WINTHROP INC. (US) 1993-06-30 EP disclosed
US-5187173-A Degenerative diseases such as emphysema, rheumatoid arthritis, pancreatitis, cyctic fibrosis and skin disorders STERLING WINTHROP INC. (US) 1993-02-16 US disclosed
US-5128339-A Emphysema, rheumatoid arthritis, pancreatitis STERLING WINTHROP INC. (US) 1992-07-07 US disclosed
EP-0483928-A1 2-Saccharinylmethyl aryl carboxylates useful as proteolytic enzyme inhibitors and compositions and method of use STERLING WINTHROP INC. (US) 1992-05-06 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 (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-20080269202-A1 Novel 2,3-benzodiazepine derivatives and their use as antipsychotic agents GABRA3, GABRB3, GABRA4 CA2 3684/4885CA12 3871/4885CA1 2848/4885

“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.