SCHEMBL2155204

SCHEMBL2155204

CCC(=C(C)C(=O)O)c1ccc(OC)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.67
CA1 P00915 5/20 0.53
CA2 P00918 5/20 0.53
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
PTGS2 P35354 1/20 0.50
ESR1 P03372 1/20 0.50
RECQL P46063 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HIF1A Q16665 1/20 0.50
FFAR1 O14842 1/20 0.48
HDAC3 O15379 2/20 0.47
HDAC4 P56524 2/20 0.47
HDAC1 Q13547 2/20 0.47
HDAC7 Q8WUI4 2/20 0.47
HDAC2 Q92769 2/20 0.47
HDAC10 Q969S8 2/20 0.47
HDAC11 Q96DB2 2/20 0.47
HDAC8 Q9BY41 2/20 0.47

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
SCHEMBL2155200 1.00 NR1I2 (0.67) NR1I2CA1CA2CES2CES1
SCHEMBL2155196 1.00 NR1I2 (0.67) NR1I2CA1CA2CES2CES1
SCHEMBL554922 0.81 NR1I2 (1.00) NR1I2CA1CA2CES2CES1
SCHEMBL6232157 0.81 NR1I2 (1.00) NR1I2CA1CA2CES2CES1
SCHEMBL554921 0.81 NR1I2 (1.00) NR1I2CA1CA2CES2CES1
SCHEMBL30786875 0.81 CES2 (0.56) CES2CES1KMT2ASMN1; SMN2HDAC3
SCHEMBL29135808 0.81 CES2 (0.56) CES2CES1KMT2ASMN1; SMN2HDAC3
SCHEMBL2154926 0.81 CES2 (0.56) CES2CES1KMT2ASMN1; SMN2HDAC3
SCHEMBL2154922 0.81 CES2 (0.56) CES2CES1KMT2ASMN1; SMN2HDAC3
SCHEMBL6653882 0.80 CA1 (0.63) CA1CA2CES2CES1KMT2A

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
EP-2519100-B1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LTD (IL) 2017-03-15 EP disclosed
US-8410176-B2 Intermediate compounds and processes for the preparation of tapentadol and related compounds MAPI PHARMA LTD. (IL) 2013-04-02 US disclosed
US-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA LIMITED (IL) 2012-11-08 US disclosed
EP-2519100-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS Mapi Pharma Limited (IL) 2012-11-07 EP disclosed
WO-2011080736-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS MAPI PHARMA HK LIMITED (CN) 2011-07-07 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 (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-20120283463-A1 INTERMEDIATE COMPOUNDS AND PROCESSES FOR THE PREPARATION OF TAPENTADOL AND RELATED COMPOUNDS PNMT, OPRK1, CYP2E1 NR1I2 285/4885CA1 1538/4885CA2 2225/4885

“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.