SCHEMBL4363022

SCHEMBL4363022

CCCOC(=O)c1ccc(OCCC)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.68
TSHR P16473 3/20 0.68
ESR1 P03372 2/20 0.68
TDP1 Q9NUW8 2/20 0.68
CHRM1 P11229 1/20 0.68
SLC6A2 P23975 1/20 0.68
KDR P35968 1/20 0.68
LMNA P02545 4/20 0.65
STS P08842 2/20 0.64
L3MBTL1 Q9Y468 3/20 0.62
PLK1 P53350 1/20 0.62
MAPT P10636 5/20 0.59
ADRB2 P07550 1/20 0.59
ADRB1 P08588 1/20 0.59
ADRB3 P13945 1/20 0.59
CYP1A2 P05177 2/20 0.59
CYP2C19 P33261 2/20 0.59
CYP2D6 P10635 1/20 0.59
MAPK1 P28482 1/20 0.59
NR1H2 P55055 1/20 0.59

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
SCHEMBL6538605 0.95 ALDH1A1 (0.62) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL28810185 0.95 TSHR (0.67) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL14984034 0.93 TSHR (0.65) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL15344615 0.93 TSHR (0.70) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL950916 0.91 L3MBTL1 (0.66) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL946820 0.91 ALDH1A1 (0.69) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL14232457 0.90 PLK1 (0.59) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL9308392 0.89 TSHR (0.74) ALDH1A1TSHRESR1LMNASTS
SCHEMBL18542582 0.89 MAPT (0.67) ALDH1A1TSHRESR1TDP1CHRM1
SCHEMBL49950 0.88 ALDH1A1 (0.84) ALDH1A1TSHRESR1TDP1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102834420-B Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP. (US) 2014-10-22 CN claimed
US-8569195-B2 Internal and external donor compounds for olefin polymerization catalysts II BASF CORPORATION (US) 2013-10-29 US claimed
CN-102834420-A Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP 2012-12-19 CN claimed
CN-102834420-B Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP. (US) 2014-10-22 CN disclosed
CN-102834420-A Internal and external donor compounds for olefin polymerization catalysts ii BASF CORP 2012-12-19 CN disclosed
EP-1739071-B1 METHOD FOR PRODUCING CARBOXYLIC ACID COMPOUND SUMITOMO CHEMICAL CO (JP) 2012-06-06 EP disclosed
US-7511171-B2 Method for producing carboxylic acid compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-31 US disclosed
US-20070197824-A1 Method For Producing Carboxylic Acid Compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-08-23 US disclosed
EP-1739071-A1 METHOD FOR PRODUCING CARBOXYLIC ACID COMPOUND Sumitomo Chemical Company, Limited (JP) 2007-01-03 EP disclosed
US-4136165-A SUNSCREEN AGENTS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1979-01-23 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-20070197824-A1 Method For Producing Carboxylic Acid Compound COASY, CA9, CA7 ALDH1A1 93/4885TSHR 4448/4885ESR1 1308/4885

“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.