SCHEMBL6803229

SCHEMBL6803229

CCC(C[C]=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.48
CCR5 P51681 1/20 0.45
MIF P14174 1/20 0.40
POLB P06746 2/20 0.38
AOC3 Q16853 1/20 0.38
TAAR1 Q96RJ0 2/20 0.37
CYP2D6 P10635 2/20 0.37
GABBR2 O75899 1/20 0.37
GABBR1 Q9UBS5 1/20 0.37
CTSD P07339 1/20 0.37
CTSE P14091 1/20 0.37
BACE1 P56817 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAPK1 P28482 1/20 0.35

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
SCHEMBL11794488 0.87 GABBR2 (0.42) LMNATAAR1CYP2D6GABBR2GABBR1
SCHEMBL9572611 0.84 AOC3 (0.43) LMNACCR5MIFPOLBAOC3
SCHEMBL9192188 0.81 CCR5 (0.46) LMNACCR5MIFPOLBTAAR1
SCHEMBL9572836 0.80 LMNA (0.45) LMNACCR5MIFPOLBAOC3
SCHEMBL169508 0.79 LMNA (0.56) LMNACCR5MIFAOC3TAAR1
SCHEMBL3954689 0.79 GABBR2 (0.41) LMNACYP2D6GABBR2GABBR1CYP1A2
SCHEMBL19812663 0.79 GABBR2 (0.55) LMNATAAR1CYP2D6GABBR2GABBR1
SCHEMBL28201170 0.79 GABBR2 (0.37) LMNACYP2D6GABBR2GABBR1CYP1A2
SCHEMBL28294961 0.79 PBRM1 (0.45) LMNACCR5MIFTAAR1CYP2D6
SCHEMBL11796860 0.78 GABBR2 (0.36) LMNATAAR1CYP2D6GABBR2GABBR1

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 18 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
EP-0987253-A1 PYRAZOLONE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 2000-03-22 EP disclosed
WO-2000000220-A1 PHARMACEUTICAL COMPOSITION CONTAINING AN ESTER OR AMIDE PLA2 INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-01-06 WO disclosed
US-5968967-A INHIBIT PLATELET AGGREGATION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-19 US 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
EP-0562832-A1 Indole and indazole derivatives, for the treatment and prophylaxis of cerebral disorders, their preparation and their use SANKYO COMPANY LIMITED (JP) 1993-09-29 EP disclosed
US-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed
US-4987132-A PLATELET ACTIVATING FACTOR ANTAGONISTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1991-01-22 US disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 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 (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 LMNA 3118/4885CCR5 3715/4885MIF 2509/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B LMNA 3290/4885CCR5 3671/4885MIF 2460/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B LMNA 3469/4885CCR5 3633/4885MIF 2513/4885

“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.