SCHEMBL3555140

SCHEMBL3555140

COC(=O)c1cc(Cl)c(C)c(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.54
CA2 P00918 4/20 0.54
CA12 O43570 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
KDM4E B2RXH2 4/20 0.52
TDP1 Q9NUW8 2/20 0.52
XDH P47989 2/20 0.52
GAA P10253 2/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
NFKB1 P19838 1/20 0.52
GFER P55789 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52
FUT7 Q11130 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ALDH1A1 P00352 6/20 0.48
MAPT P10636 2/20 0.46

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
SCHEMBL27733247 0.88 CA12 (0.47) CA1CA2CA12CA7CA9
SCHEMBL9944141 0.88 LMNA (0.60) CA1CA2CA12CA7CA9
SCHEMBL29947637 0.87 ALDH1A1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL22400342 0.87 CA12 (0.46) CA1CA2CA12CA7CA9
SCHEMBL2811746 0.87 ALDH1A1 (0.50) CA1CA2CA12CA7CA9
SCHEMBL13696427 0.87 CNR2 (0.49) CA1CA2CA12CA7CA9
SCHEMBL8335189 0.87 NOTUM (0.46) CA1CA2CA12CA7CA9
SCHEMBL29796046 0.87 CA12 (0.46) CA1CA2CA12CA7CA9
SCHEMBL8336066 0.84 CA1 (0.56) CA1CA2CA12CA7CA9
SCHEMBL23213813 0.84 CA12 (0.43) CA1CA2CA12CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6201152-B1 HEATING MIXTURE OF METHYL-3,5-DICHLORO-4-METHYLBENZOATE AND ALPHA,ALPHA,ALPHA-TRICHLOROMETHYLBENZENE IN PRESENCE OF AMMONIUM MOLYBDATE CATALYST OCCIDENTAL CHEMICAL CORPORATION 2001-03-13 US claimed
EP-3299358-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2018-03-28 EP disclosed
EP-1702917-B1 AMIDE DERIVATIVE AND MEDICINE NIPPON SHINYAKU CO LTD (JP) 2017-08-02 EP disclosed
WO-2013149996-A9 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2014-02-20 WO disclosed
WO-2013149997-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 WO disclosed
WO-2013149996-A1 SUBSTITUTED TRICYCLIC COMPOUNDS WITH ACTIVITY TOWARDS EP1 RECEPTORS ALMIRALL, S.A. (ES) 2013-10-10 WO disclosed
US-7728131-B2 3-difluoromethyl-4-(4-methylpiperazin-1-ylmethyl)-N-{4-methyl-3-[4-(5-pyrimidinyl)pyrimidin-2-ylamino]phenyl}benzamide, having excellent tyrosine kinase inhibitory activity, used as therapeutic agent for leukemia NIPPON SHINYAKU CO., LTD. (JP) 2010-06-01 US disclosed
US-20080293940-A1 Amide Derivative and Medicine NIPPON SHINYAKU CO., LTD. (JP) 2008-11-27 US disclosed
US-7169325-B2 Liquid crystalline compound, liquid crystalline composition and retardation film FUJI PHOTO FILM CO., LTD. (JP) 2007-01-30 US disclosed
EP-1702917-A1 AMIDE DERIVATIVE AND MEDICINE Nippon Shinyaku Co., Ltd. (JP) 2006-09-20 EP disclosed
WO-2001083420-A2 METHOD OF MAKING SUBSTITUTED DIHALO AROMATIC ACID CHLORIDES OCCIDENTAL CHEMICAL CORPORATION (US) 2001-11-08 WO disclosed
US-6201152-B1 HEATING MIXTURE OF METHYL-3,5-DICHLORO-4-METHYLBENZOATE AND ALPHA,ALPHA,ALPHA-TRICHLOROMETHYLBENZENE IN PRESENCE OF AMMONIUM MOLYBDATE CATALYST OCCIDENTAL CHEMICAL CORPORATION 2001-03-13 US disclosed
US-6118018-A Chlorination and bromination of aromatic compounds at atmospheric pressure OCCIDENTAL CHEMICAL CORPORATION (US) 2000-09-12 US disclosed
US-5886210-A Method for preparing aromatic compounds ROHM AND HAAS COMPANY (US) 1999-03-23 US disclosed
EP-0825173-A1 Method for preparing aromatic compounds ROHM AND HAAS COMPANY (US) 1998-02-25 EP 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-20080293940-A1 Amide Derivative and Medicine ABL2, ABL1, BCR CA1 4727/4885CA2 1951/4885CA12 4714/4885

“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.