SCHEMBL6746533

SCHEMBL6746533

CC(C)CCc1ccc(O)c(CCC(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.56
GABRB2 P47870 1/20 0.56
BACE1 P56817 1/20 0.49
ALOX5 P09917 2/20 0.44
AKR1B1 P15121 1/20 0.43
KDM4E B2RXH2 4/20 0.43
MAPK1 P28482 4/20 0.43
LMNA P02545 3/20 0.43
CYP3A4 P08684 3/20 0.43
HIF1A Q16665 3/20 0.43
HSD17B10 Q99714 3/20 0.43
ADRB2 P07550 2/20 0.43
ADORA3 P0DMS8 2/20 0.43
DRD2 P14416 2/20 0.43
ADRA2B P18089 2/20 0.43
SLC6A2 P23975 2/20 0.43
HTR2A P28223 2/20 0.43
ADRA1A P35348 2/20 0.43
PTGS2 P35354 2/20 0.43
DRD3 P35462 2/20 0.43

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
SCHEMBL27776955 0.88 GABRA1 (0.49) GABRA1GABRB2BACE1ALOX5MAPK1
Hydrochloric Acid SCHEMBL11679481 0.86 BACE1 (0.51) GABRA1GABRB2BACE1KDM4EMAPK1
SCHEMBL8204385 0.85 GABRA1 (0.53) GABRA1GABRB2BACE1ALOX5AKR1B1
SCHEMBL1291747 0.84 ALOX15 (0.59) BACE1ALOX5KDM4EMAPK1LMNA
SCHEMBL11158300 0.82 TYR (0.55) GABRA1GABRB2CYP3A4HIF1AHSD17B10
SCHEMBL8465007 0.82 GABRA1 (0.50) GABRA1GABRB2BACE1CYP3A4CYP1A2
SCHEMBL8461732 0.82 GABRA1 (0.50) GABRA1GABRB2BACE1CYP3A4CYP1A2
SCHEMBL7260186 0.82 THRA (0.46) GABRA1GABRB2KDM4EMAPK1LMNA
SCHEMBL14752345 0.81 ESR1 (0.59) GABRA1GABRB2ALOX5KDM4EMAPK1
SCHEMBL14131193 0.79 MEN1 (0.57) GABRA1GABRB2AKR1B1MAPK1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013053046-A1 IRON BISPHENOLATE COMPLEXES AND METHODS OF USE AND SYNTHESIS THEREOF UNIVERSITY OF PRINCE EDWARD ISLAND (CA) 2013-04-18 WO disclosed
CN-102807582-A Preparation methods of organic phosphate ester and organic phosphate nucleating agent CHINA PETROLEUM & CHEMICAL 2012-12-05 CN disclosed
CN-102807474-A Preparation methods of substituted diaryl phenol, organophosphorus ester and organic phosphate CHINA PETROLEUM & CHEMICAL 2012-12-05 CN disclosed
CN-101157592-A Method for separating acid from chemical reaction mixture by using ionic liquid BASF AG (DE) 2008-04-09 CN disclosed
CN-100349833-C Method for separating acid from chemical reaction mixture by using ionic liquid BASF AG (DE) 2007-11-21 CN disclosed
CN-1300156-C Method for separating acid from chemical reaction mixture by using ionic liquid BASF AG (DE) 2007-02-14 CN disclosed
CN-1622925-A Method for separating acid from chemical reaction mixture by using ionic liquid BASF AG (DE) 2005-06-01 CN disclosed
CN-1622948-A Method for separating acid from chemical reaction mixture by using ionic liquid BASF AG (DE) 2005-06-01 CN disclosed
CN-1162391-C Process to separate linear alkyl 5-formylvalerate DSM 2004-08-18 CN disclosed
US-6699650-B1 YIELD CYAN IMAGES OF GOOD HUE, WITH GOOD STABILITY TO HEAT, HUMIDITY AND LIGHT, WHILST RETAINING THE OTHER PROPERTIES DESIRABLE FOR GOOD PHOTOGRAPHIC PERFORMANCE EASTMAN KODAK COMPANY 2004-03-02 US disclosed
US-20020038047-A1 Process to separate linear alkyl 5-formylvalerate DSM IP ASSETS B.V. (NL) 2002-03-28 US disclosed
EP-1145078-A1 PHOTOGRAPHIC COUPLERS HAVING IMPROVED IMAGE DYE LIGHT STABILITY EASTMAN KODAK COMPANY (US) 2001-10-17 EP disclosed
US-6261755-B1 PHENOLIC AMIDE NARROW BANDWIDTH COUPLERS; 2-(2-HYDROXYPHENYL)-BENZOTRIAZOLE STABILIZER EASTMAN KODAK COMPANY 2001-07-17 US disclosed
EP-1037103-A1 Photographic elements containing blend of cyan dye-forming couplers EASTMAN KODAK COMPANY (US) 2000-09-20 EP disclosed
EP-1029848-A1 Process to separate linear alkyl 5-formylvalerate DSM N.V. (NL) 2000-08-23 EP disclosed
WO-2000038013-A1 PHOTOGRAPHIC COUPLERS HAVING IMPROVED IMAGE DYE LIGHT STABILITY EASTMAN KODAK COMPANY (US) 2000-06-29 WO disclosed
EP-0278579-B1 SOLID STABILIZER COMPOSITION FOR ORGANIC POLYMERS, AND PROCESS FOR PREPARING IT ENICHEM SYNTHESIS S.p.A. (IT) 1992-11-25 EP disclosed
US-4957956-A ORGANIC PHOSPHITE ENICHEM SYNTHESIS S.P.A. (IT) 1990-09-18 US disclosed
EP-0278579-A2 Solid stabilizer composition for organic polymers, and process for preparing it ENICHEM SYNTHESIS S.p.A. (IT) 1988-08-17 EP disclosed
US-4038082-A IMAGE-RECEIVING MATERIAL FOR COLOR DIFFUSION TRANSFER COMPRISING PVA AND POLYMETHYLOL COMPOUNDS FUJI PHOTO FILM CO., LTD. (JA) 1977-07-26 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-20020038047-A1 Process to separate linear alkyl 5-formylvalerate FPR3, F5, ESD GABRA1 1849/4885GABRB2 2469/4885BACE1 3671/4885

“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.