SCHEMBL5488944

SCHEMBL5488944

O=C(O)CCCOc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
HPGD P15428 3/20 0.68
TDP1 Q9NUW8 1/20 0.68
CNR2 P34972 1/20 0.64
KCNA3 P22001 1/20 0.63
MCL1 Q07820 7/20 0.61
HTR1B P28222 4/20 0.60
SLC6A4 P31645 2/20 0.55
HRH1 P35367 1/20 0.55
BCL2 P10415 3/20 0.54
BCL2L1 Q07817 2/20 0.54
BAD Q92934 2/20 0.54
KMT2A Q03164 1/20 0.54
ALB P02768 1/20 0.54
ATM Q13315 1/20 0.53

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
SCHEMBL29865493 1.00 KDM4E (0.68) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL29865967 0.95 CNR2 (0.71) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL20911356 0.95 CNR2 (0.71) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL20898049 0.94 KCNA3 (0.74) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL20886144 0.94 CNR2 (0.69) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL4294120 0.94 CNR2 (0.69) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL29865585 0.94 CNR2 (0.69) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL8357769 0.94 CNR2 (0.69) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL29865545 0.94 CNR2 (0.69) KDM4EALDH1A1HPGDTDP1CNR2
SCHEMBL8780102 0.94 CNR2 (0.69) KDM4EALDH1A1HPGDTDP1CNR2

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 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4216946-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS Achillion Pharmaceuticals, Inc. (US) 2023-08-02 EP disclosed
WO-2022066774-A1 PHARMACEUTICAL COMPOUNDS FOR THE TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2022-03-31 WO disclosed
WO-2019072553-A1 HYPERBRANCHED POLYMERS FOR ORGANIC PIGMENT DISPERSIONS AND WATER-SENSITIVE PIGMENTS BASF COATINGS GMBH (DE) 2019-04-18 WO disclosed
US-20190106592-A1 HYPERBRANCHED POLYMERS FOR ORGANIC PIGMENT DISPERSIONS AND WATER-SENSITIVE PIGMENTS BASF COATINGS GMBH (DE) 2019-04-11 US disclosed
US-7157430-B2 (Substituted)acyl dipeptidyl inhibitors of the ICE/CED-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. (US) 2007-01-02 US disclosed
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases IDUN PHARMACEUTICALS, INC. 2004-12-23 US disclosed
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases KARANEWSKY DONALD S (US) 2002-07-11 US disclosed
EP-1123272-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2001-08-16 EP disclosed
US-6242422-B1 (Substituted)Acyl dipeptidyl inhibitors of the ice/ced-3 family of cysteine proteases IDUN PHARMACUETICALS, INC. 2001-06-05 US disclosed
WO-2000023421-A1 (SUBSTITUTED)ACYL DIPEPTIDYL INHIBITORS OF THE ICE/ced-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2000-04-27 WO disclosed
EP-0662964-B1 HETEROCYCLIC AMINES HAVING CALMODULIN ANTAGONIST PROPERTIES BRITISH TECH GROUP (GB) 1997-06-11 EP disclosed
US-5543422-A HYPOTENSIVE AGENTS, ANTIISCHEMIC AGENTS, FUNGICIDES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1996-08-06 US disclosed
EP-0662964-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES. BRITISH TECH GROUP (GB) 1995-07-19 EP disclosed
WO-1994007875-A1 HETEROCYCLIC AMINES HAVING COLMODULIN ANTAGONIST PROPERTIES BRITISH TECHNOLOGY GROUP LIMITED (GB) 1994-04-14 WO disclosed
US-5278148-A Hypotensive agents HOFFMANN-LA ROCHE INC. (US) 1994-01-11 US disclosed
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US disclosed
US-5140011-A Hypotensive agents HOFFMANN-LA ROCHE, INC. (US) 1992-08-18 US disclosed
US-4931591-A Novel 5-amino-4-hydroxyvaleryl derivatives CIBA-GEIGY CORPORATION (US) 1990-06-05 US disclosed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US disclosed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 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-20190106592-A1 HYPERBRANCHED POLYMERS FOR ORGANIC PIGMENT DISPERSIONS AND WATER-SENSITIVE PIGMENTS TYR, PAH, AHR KDM4E 3003/4885ALDH1A1 224/4885HPGD 346/4885
US-20020091089-A1 (Substituted)acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 KDM4E 2593/4885ALDH1A1 2658/4885HPGD 4182/4885
US-20040259804-A1 (Substituted)Acyl dipeptidyl inhibitors of the ICE/ced-3 family of cysteine proteases DPP3, IAPP, CASP3 KDM4E 2593/4885ALDH1A1 2658/4885HPGD 4182/4885

“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.