SCHEMBL3510896

SCHEMBL3510896

CC(C)(C)c1cccc(CN)c1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.61
GABRA1 P14867 3/20 0.53
GABRB2 P47870 3/20 0.53
ATM Q13315 1/20 0.47
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
NPSR1 Q6W5P4 1/20 0.41
HSPA5 P11021 2/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PNMT P11086 2/20 0.38
CA1 P00915 1/20 0.35
CYP2D6 P10635 1/20 0.35
HSD17B10 Q99714 1/20 0.35
POLB P06746 1/20 0.34
TYR P14679 1/20 0.34

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
SCHEMBL57139 0.83 GABRA1 (0.67) CA2GABRA1GABRB2ATMALOX12
SCHEMBL2935552 0.83 CA2 (0.67) CA2GABRA1GABRB2ATMALOX12
Propane SCHEMBL28225674 0.82 GABRA1 (0.64) CA2GABRA1GABRB2ATMALOX12
SCHEMBL10706992 0.82 CA2 (0.64) CA2GABRA1GABRB2ATMALOX12
SCHEMBL30313045 0.80 MAOB (0.45) CA2GABRA1GABRB2ATMALDH1A1
SCHEMBL27555820 0.80 CA2 (0.61) CA2GABRA1GABRB2ATMALOX12
SCHEMBL1274723 0.80 CA2 (0.61) CA2GABRA1GABRB2ATMALOX12
SCHEMBL9994746 0.80 CA2 (0.61) CA2GABRA1GABRB2ATMALOX12
SCHEMBL125128 0.79 PNMT (0.44) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL15512896 0.78 CA2 (0.59) CA2GABRA1GABRB2ATMALOX12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2912076-B1 NOVEL CATALYST COMPOSITIONS AND METHOD OF MAKING AND USING THE SAME FOR THE POLYMERIZSATION OF OLEFIN. HIGH DENSITY POLYETHYLENE CHEVRON PHILLIPS CHEMICAL CO LP (US) 2024-05-15 EP disclosed
CN-105085729-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2018-01-23 CN disclosed
CN-105085726-B A kind of catalytic component and catalyst for olefinic polymerization 中国石油化工股份有限公司 2017-11-07 CN disclosed
EP-2912076-A1 NOVEL CATALYST COMPOSITIONS AND METHOD OF MAKING AND USING THE SAME FOR THE POLYMERIZSATION OF OLEFIN, HIGH DENSITY POLYETHYLENE Chevron Phillips Chemical Company LP (US) 2015-09-02 EP disclosed
EP-2912016-A1 NOVEL CATALYST COMPOSITIONS AND METHODS OF MAKING AND USING SAME Chevron Phillips Chemical Company LP (US) 2015-09-02 EP disclosed
US-8937139-B2 Catalyst compositions and methods of making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-01-20 US disclosed
US-8937139-B2 Catalyst compositions and methods of making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2015-01-20 US disclosed
US-8895679-B2 Catalyst compositions and methods of making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-11-25 US disclosed
US-8895679-B2 Catalyst compositions and methods of making and using same CHEVRON PHILLIPS CHEMICAL COMPANY LP (US) 2014-11-25 US disclosed
CN-103772556-A Novel catalyst composition and methods of making and using same CHEVRON PHILLIPS CHEMICAL CO 2014-05-07 CN disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
US-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC 2010-11-11 US disclosed
CN-101868457-A (3-hydroxy-4-amino-but-2-yl) -3- (2-thiazol-2-yl-pyrrolidine-1-carbonyl) benzamide derivatives and related compounds as beta-secretase inhibitors for use in therapy COMENTIS INC 2010-10-20 CN disclosed
CN-101821238-A Suppress the active isophthaloyl sulfonamide derivatives of beta-secretase (BETA-SECRETASE) COMENTIS INC 2010-09-01 CN disclosed
EP-2205596-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2010-07-14 EP disclosed
EP-2178837-A2 ISOPHTHALAMIDE DERIVATIVES INHIBITING BETA-SECRETASE ACTIVITY COMENTIS, INC. (US) 2010-04-28 EP disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2009042694-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING COMENTIS, INC. (US) 2009-04-02 WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO disclosed
WO-2009015369-A2 COMPOUNDS WHICH INHIBIT BETA-SECRETASE ACTIVITY AND METHODS OF USE THEREOF COMENTIS, INC. (US) 2009-01-29 WO 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-20100286170-A1 (3-HYDROXY-4-AMINO-BUTAN-2-YL) -3- (2-THIAZOL-2-YL-PYRROLIDINE-1-CARBONYL) BENZAMIDE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR TREATING BACE1, BACE2, PSEN1 CA2 2566/4885GABRA1 1384/4885GABRB2 229/4885

“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.