SCHEMBL662176

SCHEMBL662176

CC(C)(C)C(C(P)(c1ccccc1)c1ccccc1)(C(P)(c1ccccc1)c1ccccc1)C(P)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 1/20 0.39
ESR1 P03372 2/20 0.38
ESR2 Q92731 2/20 0.38
CYP3A4 P08684 1/20 0.38
KCNN4 O15554 4/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 2/20 0.36
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
CYP2B6 P20813 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 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
SCHEMBL3264960 0.84 MAPK1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL9190770 0.84 KCNN4 (0.43) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL662183 0.79 MAPK1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL16859261 0.77 MAPK1 (0.44) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL22032944 0.75 MAPK1 (0.42) MAPK1ALDH1A1TAAR1ALOX15ESR1
Bromide SCHEMBL8857061 0.75 MAPK1 (0.42) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL2012032 0.74 MAPK1 (0.46) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL4988385 0.73 MAPK1 (0.41) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL3708602 0.73 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1
SCHEMBL842144 0.73 MAPK1 (0.50) MAPK1ALDH1A1TAAR1ALOX15ESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103153463-B The method of recovery and recycle of ruthenium homogeneous catalyst EASTMAN CHEMICAL CO. (US) 2015-09-09 CN claimed
US-8829248-B2 Method for recovery and recycle of ruthenium homogeneous catalysts EASTMAN CHEMICAL COMPANY (US) 2014-09-09 US claimed
EP-2605856-A1 METHOD FOR RECOVERY AND RECYCLE OF RUTHENIUM HOMOGENEOUS CATALYSTS Eastman Chemical Company (US) 2013-06-26 EP claimed
WO-2012024253-A1 METHOD FOR RECOVERY AND RECYCLE OF RUTHENIUM HOMOGENEOUS CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-02-23 WO claimed
US-20120046481-A1 METHOD FOR RECOVERY AND RECYCLE OF RUTHENIUM HOMOGENEOUS CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-02-23 US claimed
CN-103153463-B The method of recovery and recycle of ruthenium homogeneous catalyst EASTMAN CHEMICAL CO. (US) 2015-09-09 CN disclosed
EP-2141142-B1 METHOD FOR PRODUCING ALCOHOL BY HYDROGENATING LACTONE OR CARBOXYLIC ACID ESTER IN LIQUID PHASE TAKASAGO PERFUMERY CO LTD (JP) 2015-03-04 EP disclosed
US-8969632-B2 Passivation of a homogeneous hydrogenation catalyst for the production of ethylene glycol EASTMAN CHEMICAL COMPANY (US) 2015-03-03 US disclosed
US-8829248-B2 Method for recovery and recycle of ruthenium homogeneous catalysts EASTMAN CHEMICAL COMPANY (US) 2014-09-09 US disclosed
US-20130253230-A1 PASSIVATION OF A HOMOGENEOUS HYDROGENATION CATALYST FOR THE PRODUCTION OF ETHYLENE GLYCOL EASTMAN CHEMICAL COMPANY (US) 2013-09-26 US disclosed
EP-2605856-A1 METHOD FOR RECOVERY AND RECYCLE OF RUTHENIUM HOMOGENEOUS CATALYSTS Eastman Chemical Company (US) 2013-06-26 EP disclosed
WO-2012024253-A1 METHOD FOR RECOVERY AND RECYCLE OF RUTHENIUM HOMOGENEOUS CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-02-23 WO disclosed
US-20120046481-A1 METHOD FOR RECOVERY AND RECYCLE OF RUTHENIUM HOMOGENEOUS CATALYSTS EASTMAN CHEMICAL COMPANY (US) 2012-02-23 US disclosed
US-8013193-B2 Method for producing alcohol by hydrogenating lactone and carboxylic acid ester in liquid phase KANEKA CORPORATION (JP) 2011-09-06 US disclosed
US-20100113842-A1 METHOD FOR PRODUCING ALCOHOL BY HYDROGENATING LACTONE AND CARBOXYLIC ACID ESTER IN LIQUID PHASE KANEKA CORPORATION (JP) 2010-05-06 US disclosed
EP-2141142-A1 METHOD FOR PRODUCING ALCOHOL BY HYDROGENATING LACTONE AND CARBOXYLIC ACID ESTER IN LIQUID PHASE Takasago International Corporation (JP) 2010-01-06 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 (3 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-20100113842-A1 METHOD FOR PRODUCING ALCOHOL BY HYDROGENATING LACTONE AND CARBOXYLIC ACID ESTER IN LIQUID PHASE ADH1C, ADH1A, ADH5 MAPK1 1163/4885ALDH1A1 120/4885TAAR1 608/4885
US-20130253230-A1 PASSIVATION OF A HOMOGENEOUS HYDROGENATION CATALYST FOR THE PRODUCTION OF ETHYLENE GLYCOL HPD, TALDO1, GRHPR MAPK1 1939/4885ALDH1A1 688/4885TAAR1 978/4885
US-20120046481-A1 METHOD FOR RECOVERY AND RECYCLE OF RUTHENIUM HOMOGENEOUS CATALYSTS GRHPR, DERA, APEH MAPK1 1521/4885ALDH1A1 1695/4885TAAR1 560/4885

“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.