SCHEMBL820953

SCHEMBL820953

COC(C)CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.46
G6PD P11413 1/20 0.45
POLB P06746 2/20 0.44
MMP12 P39900 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
OPRK1 P41145 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
SCHEMBL13626178 1.00 TSHR (0.46) TSHRG6PDPOLBMMP12ALDH1A1
SCHEMBL7181668 0.88 PDE4A (0.46)
SCHEMBL585331 0.84 TSHR (0.47) TSHRPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL837629 0.81 TSHR (0.44) TSHRPOLBALDH1A1CYP1A2CYP2C9
SCHEMBL873038 0.80 MMP12 (0.45) TSHRG6PDPOLBMMP12ALDH1A1
SCHEMBL13074081 0.80 MMP12 (0.57) TSHRG6PDPOLBMMP12ALDH1A1
SCHEMBL2555409 0.79 SIGMAR1 (0.56) MEN1KMT2AOPRK1
SCHEMBL13189946 0.79 SIGMAR1 (0.56) MEN1KMT2AOPRK1
SCHEMBL13006663 0.79 SIGMAR1 (0.56) MEN1KMT2AOPRK1
SCHEMBL13713720 0.79 ESR1 (0.50) TSHRCYP1A2MEN1HTTKMT2A

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-11199890-A None JP disclosed
US-10370356-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-08-06 US disclosed
US-8735048-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film using the composition and pattern forming method FUJIFILM CORPORATION (JP) 2014-05-27 US disclosed
US-8735048-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film using the composition and pattern forming method FUJIFILM CORPORATION (JP) 2014-05-27 US disclosed
US-20120301817-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2012-11-29 US disclosed
US-20120301817-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM USING THE COMPOSITION AND PATTERN FORMING METHOD FUJIFILM CORPORATION (JP) 2012-11-29 US disclosed
US-20110301202-A1 SPLA2 INHIBITOR CONJUGATE COMPOUNDS AND METHODS OF USE ANTHERA PHARMACEUTICALS, INC. 2011-12-08 US disclosed
US-20110269786-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME IN DIABETIC PATIENTS USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. 2011-11-03 US disclosed
US-8048880-B2 Treatment of cardiovascular disease and dyslipidemia using secretory phospholipase A2 (SPLA2) inhibitors and SPLA2 inhibitor combination therapies ANTHERA PHARMACEUTICALS, INC. (US) 2011-11-01 US disclosed
US-20110207710-A1 TREATMENT OF CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS AND SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. 2011-08-25 US disclosed
US-20100285540-A1 Process for the preparation of (R)-Beta-Arylalanines by coupled Racemase/Aminomutase catalysis BOARD OF TRUSTEES OF MICHIGAN STATE UNIVERSITY (US) 2010-11-11 US disclosed
US-20100204249-A1 SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR AND NIACIN DRUG COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA ANTHERA PHARMACEUTICALS, INC. 2010-08-12 US disclosed
US-20100160361-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. 2010-06-24 US disclosed
US-20090131396-A1 TREATMENT OF CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS AND SPLA2 INHIBITOR COMBINATION THERAPIES ANTHERA PHARMACEUTICALS, INC. 2009-05-21 US disclosed
US-20090062369-A1 USE OF SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS TO DECREASE SPLA2 LEVELS ANTHERA PHARMACEUTICALS, INC. 2009-03-05 US disclosed
WO-2005019221-A1 4-CYCLOALKYLAMINOPYRAZOLO PYRIMIDINE NMDA/NR2B ANTAGONISTS MERCK & CO., INC. (US) 2005-03-03 WO disclosed
JP-H11199890-A USE OF 1-METHOXY-2-METHYL-3-PHENYLPROPANE, 1-(2-METHOXYPROPYL)-4-METHYLBENZENE AND 3-METHOXY-2,2,3-TRIMETHYL-1-PHENYLBUTANE IN PERFUME FIRMENICH SA 1999-07-27 JP 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 (9 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-10370356-B2 Pyridinone dicarboxamide for use as bromodomain inhibitors BRD4, BRD3, BRDT TSHR 2687/4885G6PD 1203/4885POLB 756/4885
US-20110269786-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME IN DIABETIC PATIENTS USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES PLAA, PLA2G12A, PLAAT2 TSHR 4371/4885G6PD 2094/4885POLB 3885/4885
US-20100160361-A1 TREATMENT OF MAJOR ADVERSE CARDIAC EVENTS AND ACUTE CORONARY SYNDROME USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR OR SPLA2 INHIBITOR COMBINATION THERAPIES PLA2G12A, PLAA, PLA2G3 TSHR 4159/4885G6PD 3366/4885POLB 3649/4885
US-20110207710-A1 TREATMENT OF CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS AND SPLA2 INHIBITOR COMBINATION THERAPIES PLA2G12A, PLA2G3, PCSK9 TSHR 3681/4885G6PD 2583/4885POLB 3013/4885
US-20110301202-A1 SPLA2 INHIBITOR CONJUGATE COMPOUNDS AND METHODS OF USE PCSK9, PCSK6, NAPRT TSHR 3710/4885G6PD 1719/4885POLB 2372/4885
US-20100204249-A1 SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITOR AND NIACIN DRUG COMPOSITIONS AND METHODS FOR TREATING CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA PLA2G12A, PLA2G3, PLA2G2E TSHR 2359/4885G6PD 1386/4885POLB 2160/4885
US-20090062369-A1 USE OF SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS TO DECREASE SPLA2 LEVELS PLA2G12A, PLA2G3, PLA2G2E TSHR 2766/4885G6PD 2268/4885POLB 2207/4885
US-20090131396-A1 TREATMENT OF CARDIOVASCULAR DISEASE AND DYSLIPIDEMIA USING SECRETORY PHOSPHOLIPASE A2 (SPLA2) INHIBITORS AND SPLA2 INHIBITOR COMBINATION THERAPIES PLA2G12A, PLA2G3, PCSK9 TSHR 3681/4885G6PD 2583/4885POLB 3013/4885
US-20100285540-A1 Process for the preparation of (R)-Beta-Arylalanines by coupled Racemase/Aminomutase catalysis ARSA, RNPEP, DDC TSHR 1679/4885G6PD 617/4885POLB 80/4885

“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.