SCHEMBL5029938

SCHEMBL5029938

C1=Cc2ccc3c(c2C1)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CES1 P23141 6/20 0.44
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
BCL2L1 Q07817 1/20 0.36
BAD Q92934 1/20 0.36
CYP19A1 P11511 2/20 0.33
KIF11 P52732 1/20 0.33
TSHR P16473 1/20 0.32
PARP1 P09874 1/20 0.31
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL8661517 0.82 CES1 (0.43) CES1NOS3NOS1NOS2BCL2L1
SCHEMBL1278375 0.76 BCL2L1 (0.52) CES1NOS3NOS1NOS2BCL2L1
SCHEMBL9461283 0.74 BCL2L1 (0.50) CES1NOS3NOS1NOS2BCL2L1
SCHEMBL13346281 0.73 CES1 (0.47) CES1NOS3NOS1NOS2BCL2L1
SCHEMBL23944932 0.71 PARP1 (0.46) CES1NOS3NOS1NOS2BCL2L1
SCHEMBL22266013 0.70
Hydrochloric Acid SCHEMBL11039603 0.69 NOS3 (0.38) CES1NOS3NOS1NOS2
SCHEMBL953470 0.67 CES1 (0.53) CES1NOS3NOS1NOS2BCL2L1
SCHEMBL2972319 0.67 NLRP3 (0.34)
SCHEMBL8663172 0.66 BCL2L1 (0.43) CES1NOS3NOS1NOS2BCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11040995-B2 Catalyst comprising a metallocene complex and co-catalyst SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2021-06-22 US disclosed
US-20200270292-A1 CATALYST COMPRISING A METALLOCENE COMPLEX AND CO-CATALYST SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2020-08-27 US disclosed
EP-3400230-B1 CATALYST COMPRISING A METALLOCENE COMPLEX AND A CO-CATALYST SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-09-11 EP disclosed
EP-3400230-A1 CATALYST COMPRISING A METALLOCENE COMPLEX AND A CO-CATALYST SABIC Global Technologies B.V. (NL) 2018-11-14 EP disclosed
WO-2017118617-A1 CATALYST COMPRISING A METALLOCENE COMPLEX AND A CO-CATALYST SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2017-07-13 WO disclosed
EP-1257541-B1 POLYPHARMACOPHORIC AGENTS MOLECULAR INSIGHT PHARM INC (US) 2008-09-03 EP disclosed
US-20070129440-A1 Polypharmacophoric agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2007-06-07 US disclosed
US-7141573-B2 Polypharmacophoric agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. (US) 2006-11-28 US disclosed
EP-1257541-A2 POLYPHARMACOPHORIC AGENTS Biostream Therapeutics (US) 2002-11-20 EP disclosed
US-20020042357-A1 Polypharmacophoric agents MOLECULAR INSIGHT PHARMACEUTICALS, INC. 2002-04-11 US disclosed
WO-2001051474-A2 POLYPHARMACOPHORIC AGENTS BIOSTREAM THERAPEUTICS, INC. (US) 2001-07-19 WO disclosed
EP-0870759-B1 Aminated 6,7,8,9-tetrahydro-cyclopenta[a]naphtalene- and 2,3-dihydro-cyclopenta[e]indene-derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-03-21 EP disclosed
EP-0870759-B1 Aminated 6,7,8,9-tetrahydro-cyclopenta[a]naphtalene- and 2,3-dihydro-cyclopenta[e]indene-derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2001-03-21 EP disclosed
CN-1207384-A Amino compounds of 6,7,8,9-tetrahydro-cyclopenta[a]naphthalene and of 2,3-dihydro-cyclopenta[e]indene ADIR (FR) 1999-02-10 CN disclosed
EP-0870759-A1 Aminated 6,7,8,9-tetrahydro-cyclopenta[a]naphtalene- and 2,3-dihydro-cyclopenta[e]indene-derivatives, process for their preparation and pharmaceutical compsitions containing them ADIR ET COMPAGNIE (FR) 1998-10-14 EP disclosed
EP-0870759-A1 Aminated 6,7,8,9-tetrahydro-cyclopenta[a]naphtalene- and 2,3-dihydro-cyclopenta[e]indene-derivatives, process for their preparation and pharmaceutical compsitions containing them ADIR ET COMPAGNIE (FR) 1998-10-14 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-11040995-B2 Catalyst comprising a metallocene complex and co-catalyst CCRL2, UBE2L3, MAL2 CES1 4454/4885NOS3 2975/4885NOS1 3924/4885
US-20200270292-A1 CATALYST COMPRISING A METALLOCENE COMPLEX AND CO-CATALYST LAS1L, CCNE2, CKS2 CES1 4424/4885NOS3 3245/4885NOS1 4062/4885
US-20020042357-A1 Polypharmacophoric agents COMT, SLC6A3, HTR3C CES1 1139/4885NOS3 1503/4885NOS1 2227/4885

“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.