SCHEMBL972855

SCHEMBL972855

CCCCC/C=C\C/C=C\CCCCCCCC(=O)OCCCCCCCCCCC1=C(C)C(=O)C(OC)=C(OC)C1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.58
ALDH1A1 P00352 3/20 0.58
TDP1 Q9NUW8 3/20 0.58
THRB P10828 2/20 0.58
MGLL Q99685 1/20 0.51
CNR1 P21554 1/20 0.50
CYP3A4 P08684 2/20 0.48
LMNA P02545 1/20 0.48
PGR P06401 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
MAOA P21397 1/20 0.48
TBXA2R P21731 1/20 0.48
MAPK1 P28482 1/20 0.48
AVPR2 P30518 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR2B P41595 1/20 0.48
HTT P42858 1/20 0.48
PDE3A Q14432 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48

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
SCHEMBL971323 0.90 ALDH1A1 (0.72) MAPTALDH1A1TDP1THRBCYP3A4
SCHEMBL11851928 0.88 MAPT (0.76) MAPTALDH1A1TDP1THRBCYP3A4
SCHEMBL11863153 0.84 MAPT (0.68) MAPTALDH1A1TDP1THRBCYP3A4
SCHEMBL11855172 0.84 MAPT (0.82) MAPTALDH1A1TDP1THRBCYP3A4
SCHEMBL11860789 0.84 MAPT (0.82) MAPTALDH1A1TDP1THRBCYP3A4
SCHEMBL11858844 0.81 ALDH1A1 (0.62) MAPTALDH1A1TDP1THRBCYP3A4
SCHEMBL11861509 0.81 ALDH1A1 (0.62) MAPTALDH1A1TDP1THRBCYP3A4
SCHEMBL7329653 0.81 TDP1 (0.66) MAPTALDH1A1TDP1THRBCYP3A4
SCHEMBL25247272 0.80 MGLL (0.75) MAPTALDH1A1TDP1THRBMGLL
SCHEMBL25245987 0.80 MGLL (0.75) MAPTALDH1A1TDP1THRBMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102231996-B Skin treatment agent comprising carboxylic acid-substituted idebenone derivative, and preparation method and use thereof ARDEN ELIZABETH INC 2014-11-26 CN disclosed
EP-2183257-B1 ESTERS OF LONG-CHAIN ALCOHOLS AND PREPARATION THEROF EASTMAN CHEM CO (US) 2013-03-20 EP disclosed
CN-101938976-B Esters of long-chain alcohols and preparation thereof EASTMAN CHEM CO 2012-12-12 CN disclosed
CN-102231996-A Skin treatment agent comprising carboxylic acid-substituted idebenone derivative, and preparation method and use thereof PHARMA COSMETIX RES LLC 2011-11-02 CN disclosed
US-7927855-B2 Esters of long-chain alcohols and preparation thereof EASTMAN CHEMICAL COMPANY (US) 2011-04-19 US disclosed
US-7872047-B2 Esters of long-chain alcohols and preparation thereof EASTMAN CHEMICAL COMPANY (US) 2011-01-18 US disclosed
CN-101938976-A Esters of long-chain alcohols and preparation thereof EASTMAN CHEM CO 2011-01-05 CN disclosed
EP-2249777-A1 ESTERS OF LONG-CHAIN ALCOHOLS AND THEIR USE TO TREAT THE SKIN Eastman Chemical Company (US) 2010-11-17 EP disclosed
WO-2009099524-A1 ESTERS OF LONG-CHAIN ALCOHOLS AND THEIR USE TO TREAT THE SKIN EASTMAN CHEMICAL COMPANY (US) 2009-08-13 WO disclosed
US-20090203779-A1 ESTERS OF LONG-CHAIN ALCOHOLS AND PREPARATION THEREOF EASTMAN CHEMICAL COMPANY (US) 2009-08-13 US disclosed
US-20090042271-A1 Esters of long-chain alcohols and preparation thereof EASTMAN CHEMICAL COMPANY 2009-02-12 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 (2 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-20090042271-A1 Esters of long-chain alcohols and preparation thereof ADH1A, ADH1C, ADH5 MAPT 4029/4885ALDH1A1 40/4885TDP1 2289/4885
US-20090203779-A1 ESTERS OF LONG-CHAIN ALCOHOLS AND PREPARATION THEREOF ADH1A, ADH1C, ADH5 MAPT 2336/4885ALDH1A1 7/4885TDP1 1677/4885

“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.