SCHEMBL6803904

SCHEMBL6803904

O=CC=CC=CCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.58
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ARG2 P78540 1/20 0.45
TOP1 P11387 1/20 0.42
MAPK1 P28482 2/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
ALOX5 P09917 1/20 0.41
CCNB2 O95067 2/20 0.41
CDK1 P06493 2/20 0.41
CDK4 P11802 2/20 0.41
CCNB1 P14635 2/20 0.41
CCND1 P24385 2/20 0.41
CCNB3 Q8WWL7 2/20 0.41
ADH1B P00325 1/20 0.39
ADH1C P00326 1/20 0.39
ADH1A P07327 1/20 0.39
ADH7 P40394 1/20 0.39

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
SCHEMBL8348918 1.00 MAOB (0.58) MAOBCA1CA2ARG2TOP1
SCHEMBL145089 0.91 MAOB (0.64) MAOBCA1CA2ARG2TOP1
SCHEMBL3132480 0.91 MAOB (0.64) MAOBCA1CA2ARG2TOP1
SCHEMBL12809833 0.91 MAOB (0.64) MAOBCA1CA2ARG2TOP1
SCHEMBL462351 0.86 MAOB (0.78) MAOBCA1CA2ARG2TOP1
SCHEMBL628859 0.86 MAOB (0.78) MAOBCA1CA2ARG2TOP1
SCHEMBL27558493 0.84 MAOB (0.74) MAOBCA1CA2ARG2TOP1
SCHEMBL30075910 0.84 MAOB (0.74) MAOBCA1CA2ARG2TOP1
SCHEMBL95697 0.80 MAOB (0.61) MAOBCA1CA2ARG2TOP1
SCHEMBL95698 0.80 MAOB (0.61) MAOBCA1CA2ARG2TOP1

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
EP-3400226-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER Emcure Pharmaceuticals Limited (IN) 2018-11-14 EP disclosed
WO-2017134555-A1 DERIVATIVES OF PYRROLOIMIDAZOLE OR ANALOGUES THEREOF WHICH ARE USEFUL FOR THE TREATMENT OF INTER ALIA CANCER EMCURE PHARMACEUTICALS LIMITED (IN) 2017-08-10 WO disclosed
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
WO-1995019959-A1 AMINO ACID DERIVATIVES AND THEIR USE AS PHOSPHOLIPASE A2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-07-27 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 (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 MAOB 614/4885CA1 2060/4885CA2 450/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B MAOB 643/4885CA1 1635/4885CA2 445/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B MAOB 641/4885CA1 1900/4885CA2 395/4885

“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.