SCHEMBL3801206

SCHEMBL3801206

CCCOc1ccc(CC(=O)OCC)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 1/20 0.60
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
KDM4E B2RXH2 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP2D6 P10635 1/20 0.54
PDE4A P27815 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
HIF1A Q16665 1/20 0.54
HDAC10 Q969S8 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ALDH1A1 P00352 4/20 0.50
LTA4H P09960 2/20 0.50
HPGD P15428 1/20 0.50
GAA P10253 1/20 0.50

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
SCHEMBL7484161 0.93 SMN1; SMN2 (0.62) TBXAS1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL11002749 0.93 LMNA (0.58) TBXAS1LMNAL3MBTL1KDM4ECYP1A2
SCHEMBL9476115 0.89 PLA2G4B (0.62) TBXAS1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL9140317 0.89 PLA2G4B (0.62) TBXAS1LMNAKDM4ECYP1A2CYP2D6
SCHEMBL181473 0.88 HPGD (0.61) TBXAS1SMN1; SMN2MAPTNPSR1ALDH1A1
SCHEMBL6781796 0.87 TBXAS1 (0.57) TBXAS1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8147343 0.87 TBXAS1 (0.57) TBXAS1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9787773 0.87 TBXAS1 (0.57) TBXAS1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL10726761 0.87 LTA4H (0.57) TBXAS1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL7969106 0.87 TBXAS1 (0.57) TBXAS1KDM4ECYP1A2CYP2D6PDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921591-B2 Process for synthesizing phenylacetic acid by carbonylation of toluene LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2014-12-30 US disclosed
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE LANZHOU INSTITUTE OF CHEMICAL PHYSICS, CHINESE ACADEMY OF SCIENCES (CN) 2013-11-14 US disclosed
US-7781592-B2 Thione derivative, method for the preparation thereof, and pharmaceutical composition containing the same CJ CHEILJEDANG CORPORATION (KR) 2010-08-24 US disclosed
US-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same CJC CORPORATION (KR) 2008-04-17 US disclosed
WO-2005051941-A1 THIONE DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME CJ CORPORATION (KR) 2005-06-09 WO 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-20080090875-A1 Thione Derivative, Method For The Preparation Thereof, And Pharmaceutical Composition Containing The Same TPMT, TST, CYP3A5 TBXAS1 276/4885LMNA 4506/4885L3MBTL1 3454/4885
US-20130303798-A1 PROCESS FOR SYNTHESIZING PHENYLACETIC ACID BY CARBONYLATION OF TOLUENE DDT, HPD, PAH TBXAS1 1435/4885LMNA 4096/4885L3MBTL1 3633/4885

“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.