SCHEMBL1375360

SCHEMBL1375360

O=C(Cl)C(C(=O)Cl)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.64
CYP2D6 P10635 1/20 0.50
LMNA P02545 3/20 0.48
MAPK1 P28482 1/20 0.48
CES2 O00748 2/20 0.46
CES1 P23141 2/20 0.46
TDP1 Q9NUW8 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HPGD P15428 1/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43

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
SCHEMBL10677605 0.90 SRC (0.73) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11680362 0.88 SRC (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL28033698 0.86 SRC (0.54) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL271454 0.86 SRC (0.43) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11679477 0.81 KMT2A (0.60) SRCLMNAALDH1A1KMT2A
SCHEMBL8559192 0.81 SRC (0.48) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11275550 0.80 L3MBTL1 (0.53) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL11076351 0.80 SRC (0.47) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL237104 0.79 TDP1 (0.56) SRCCYP2D6LMNAMAPK1CES2
SCHEMBL5458091 0.78 MMP8 (0.66) SRCTSHRKMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288258-A1 CROSSLINKED POLYAMIDE BASF SE (DE) 2011-11-24 US disclosed
CN-101838218-A Ester compound and pharmaceutical use of the same JAPAN TOBACCO INC 2010-09-22 CN disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF JAPAN TOBACCO INC. 2010-06-24 US disclosed
CN-1630629-B Ester compound and medical use thereof JAPAN TOBACCO INC 2010-05-05 CN disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7625948-B2 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2009-12-01 US disclosed
US-7432392-B2 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2008-10-07 US disclosed
CN-1943786-A Ester compound and its medicinal application JAPAN TOBACCO INC (JP) 2007-04-11 CN disclosed
US-20060205726-A1 Ester derivatives and medical use thereof JAPAN TOBACCO INC. (JP) 2006-09-14 US disclosed
EP-1669345-A1 ESTER DERIVATIVE AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2006-06-14 EP disclosed
CN-1630629-A Ester compound and medical use thereof JAPAN TOBACCO INC (JP) 2005-06-22 CN disclosed
US-20050075367-A1 Ester compound and medicinal use thereof JAPAN TOBACCO INC. (JP) 2005-04-07 US disclosed
EP-1479666-A1 ESTER COMPOUND AND MEDICINAL USE THEREOF JAPAN TOBACCO INC. (JP) 2004-11-24 EP disclosed
EP-0238982-A1 Anticholinergic compounds, pharmaceutical compositions and method of treatment UNIVERSITY OF FLORIDA (US) 1987-09-30 EP disclosed
US-4086423-A CEPHALOSPORINS, CYCLOADDITION OF GLYCINE DERIVATIVE TO THIAZINE COMPOUND MERCK & CO., INC. (US) 1978-04-25 US disclosed
US-4072710-A FROM SILYL ESTER AND THIONYL CHLORIDE PALOMO COLL A L 1978-02-07 US disclosed
US-4038253-A PHOTOCROSS-LINKABLE POLYMERS CONTAINING PENDANT DIAZOESTER GROUPS HERCULES INCORPORATED (US) 1977-07-26 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 (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-20060205726-A1 Ester derivatives and medical use thereof MTTP, LIPC, CETP SRC 3252/4885CYP2D6 1011/4885LMNA 2938/4885
US-20050075367-A1 Ester compound and medicinal use thereof LIPC, CES1, MTTP SRC 2971/4885CYP2D6 752/4885LMNA 2248/4885
US-20100158996-A1 ESTER COMPOUND AND MEDICAL USE THEREOF LIPC, CES1, MTTP SRC 2497/4885CYP2D6 705/4885LMNA 2365/4885

“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.