SCHEMBL6802365

SCHEMBL6802365

CC(=C=O)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.50
CES2 O00748 1/20 0.50
AKR1B1 P15121 1/20 0.50
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
TSHR P16473 1/20 0.42
FNTA P49354 1/20 0.42
FNTB P49356 1/20 0.42
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTBP2 P56545 1/20 0.41
EPHX2 P34913 1/20 0.41
LMNA P02545 1/20 0.41
NOS2 P35228 1/20 0.41
KDM4E B2RXH2 1/20 0.40
CNR2 P34972 1/20 0.40

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
SCHEMBL7147953 0.79 CES1 (0.46) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL28460591 0.79 CES1 (0.46) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL28056990 0.77 CES1 (0.50) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL11344364 0.76 CES1 (0.54) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL8861148 0.75 ALDH1A1 (0.48) ALDH1A1KMT2AHDAC6TSHRMAPK1
SCHEMBL7417003 0.75 HTT (0.55) ALDH1A1MEN1KMT2ACTBP2KDM4E
Benzene SCHEMBL3421936 0.73 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL2333780 0.73 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
Benzene SCHEMBL10503945 0.73 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1
SCHEMBL9688483 0.73 CES1 (0.64) CES1CES2AKR1B1ALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
EP-1091760-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-18 EP disclosed
US-6110933-A AN ENZYME INHIBITOR TREATING PANCREATITIS, HEPATITIS, CHRONIC RENAL FAILURE, ENDOTOXIN SHOCK, GRAM-NEGATIVE SEPTIC SHOCK, ARTHRITIS, RESPIRATORY DISEASE, HEART DISEASE, ALLERGIC DISEASE, THROMBOSIS, ARTERIOSCLEROSIS, PAIN FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-08-29 US disclosed
WO-2000000220-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-06 WO disclosed
EP-0741697-B1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 1999-09-15 EP disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO disclosed
EP-0741697-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-11-13 EP disclosed
WO-1995019959-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-27 WO disclosed
US-3932318-A COPOLYMERS WITH ISOCYANATES, CRYOGENIC POLYMERIZATION, NONFLAMMABLE E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-01-13 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-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CES1 83/4885CES2 1253/4885AKR1B1 635/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B CES1 59/4885CES2 1163/4885AKR1B1 563/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B CES1 83/4885CES2 1219/4885AKR1B1 597/4885

“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.