SCHEMBL818006

SCHEMBL818006

[CH2]c1cccc(CCC)c1CCC

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
DAO P14920 1/20 0.34
GABRA1 P14867 2/20 0.33
GABRB2 P47870 2/20 0.33
LTB4R Q15722 1/20 0.33
LTB4R2 Q9NPC1 1/20 0.33
GRM5 P41594 1/20 0.33
TSHR P16473 1/20 0.31
ELANE P08246 1/20 0.30
ALOX5 P09917 1/20 0.30
PTGS2 P35354 1/20 0.30
IAPP P10997 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
SCHEMBL1452942 0.84 ALDH1A1 (0.41) KDM4EALDH1A1GAAHPGDDAO
SCHEMBL815719 0.83 LIPG (0.39) HPGDALOX5PTGS2
SCHEMBL817803 0.80 LIPG (0.49) ALOX5PTGS2
SCHEMBL11333647 0.80 LIPG (0.49) ALOX5PTGS2
SCHEMBL10354084 0.80 LIPG (0.49) ALOX5PTGS2
SCHEMBL815912 0.80 PRKCI (0.32) KDM4EALDH1A1GAAHPGD
SCHEMBL135178 0.79 LIPG (0.36) KDM4EALDH1A1GAAHPGDDAO
SCHEMBL16950488 0.78 GRM5 (0.36) DAOGABRA1GABRB2GRM5TSHR
SCHEMBL198835 0.77 DAO (0.36) KDM4EALDH1A1GAAHPGDDAO
SCHEMBL8090798 0.77 GABRA1 (0.46) KDM4EALDH1A1GAAHPGDDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008029278-A2 CONJUGATES OF ANTITHROMBIN BINDING OLIGOSACCHARIDE DERIVATIVES AND THERAPEUTIC PROTEINS ENDOTIS PHARMA S.A. (FR) 2008-03-13 WO claimed
EP-1886696-A1 Conjugates of antithrombin binding oligosaccharide derivatives and therapeutic proteins Endotis Pharma (FR) 2008-02-13 EP claimed
WO-2007135417-A1 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-11-29 WO claimed
US-7247687-B2 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-07-24 US claimed
WO-2006129120-A9 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2007-03-22 WO claimed
WO-2006129120-A2 BENZOTRIAZEPINONE DERIVATIVES JAMES BLACK FOUNDATION (GB) 2006-12-07 WO claimed
EP-1521758-B1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEM PATENTS INC (US) 2006-05-24 EP claimed
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization EXXONMOBIL CHEMICAL PATENTS INC. 2006-03-02 US claimed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP claimed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO claimed
US-11931415-B2 Ophthalmic compositions THE UNIVERSITY OF LIVERPOOL (GB) 2024-03-19 US disclosed
EP-3496760-B1 OPHTHALMIC COMPOSITIONS UNIV LIVERPOOL (GB) 2022-02-09 EP disclosed
US-20210220335-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2021-07-22 US disclosed
EP-3810137-A1 NITROIMIDAZOLE FORMULATIONS IRP Health Pty Ltd (AU) 2021-04-28 EP disclosed
WO-2021072473-A1 ANTIMICROBIALS AS FEED PRESERVATIVES IRP Health Pty Ltd (AU) 2021-04-22 WO disclosed
WO-2005105864-A1 HETEROCYCLIC SUBSTITUTED METALLOCENE COMPOUNDS FOR OLEFIN POLYMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2005-11-10 WO disclosed
EP-1521758-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION Exxonmobil Chemical Patents Inc. (US) 2005-04-13 EP disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO disclosed
US-4133830-A RECYCLING BY-PRODUCTS TO SUCCESSIVE RUNS TO IMPROVE YIELD STAUFFER CHEMICAL COMPANY (US) 1979-01-09 US disclosed
US-4130583-A AUTOGENOUS PRESSURE STAUFFER CHEMICAL COMPANY (US) 1978-12-19 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-20210220335-A1 NITROIMIDAZOLE FORMULATIONS PHB1, COX5B, CYP3A5 KDM4E 1922/4885ALDH1A1 3471/4885GAA 2366/4885
US-20060047094-A1 Late transition metal catalysts for olefin polymerization and oligomerization MLX, LOX, LMTK3 KDM4E 1868/4885ALDH1A1 2181/4885GAA 1882/4885
US-11931415-B2 Ophthalmic compositions CRYAB, CRYAA, PDE6D KDM4E 3404/4885ALDH1A1 1241/4885GAA 1715/4885

“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.