SCHEMBL2280801

SCHEMBL2280801

CCCCC(CC)COC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 6/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 5/20 0.47
TDP1 Q9NUW8 2/20 0.47
ATM Q13315 1/20 0.47
ALDH1A1 P00352 7/20 0.46
CA2 P00918 3/20 0.41
RECQL P46063 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 2/20 0.37
MMP9 P14780 1/20 0.37
MMP8 P22894 1/20 0.37
MMP14 P50281 1/20 0.37
HSD17B10 Q99714 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL11927544 0.94 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL5354836 0.87 CYP3A4 (0.52) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL28186037 0.83 CYP3A4 (0.38) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL19822055 0.83 CYP3A4 (0.48) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL29460338 0.83 CYP3A4 (0.48) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL24627648 0.83 LMNA (0.46) CYP3A4L3MBTL1TSHRCA2MAPK1
SCHEMBL24627500 0.83 LMNA (0.46) CYP3A4L3MBTL1TSHRCA2MAPK1
SCHEMBL24627677 0.83 LMNA (0.46) CYP3A4L3MBTL1TSHRCA2MAPK1
SCHEMBL13492153 0.82 CYP3A4 (0.46) CYP3A4L3MBTL1TSHRTDP1ATM
SCHEMBL30940561 0.82 CYP3A4 (0.47) CYP3A4L3MBTL1TSHRTDP1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180066105-A1 RESIN MODIFIER AND RESIN COMPOSITION USING SAME ADEKA CORPORATION (JP) 2018-03-08 US disclosed
US-20160274273-A1 RETARDATION-INCREASING AGENT, CELLULOSE-BASED RESIN COMPOSITION USING SAME, AND FILM ADEKA CORPORATION (JP) 2016-09-22 US disclosed
US-7993613-B2 aldoxime extractants with optional ketoxime extractants; branched chain ether equilibrium modifiers; 2-hydroxy-5-heptylbenzaldoxime; tert-butyl octyl ether; copper sulfate COGNIS IP MANAGEMENT GMBH (DE) 2011-08-09 US disclosed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION ISDIN S.A. (ES) 2010-02-25 US disclosed
EP-2104542-A2 MORE EFFICIENT ETHER MODIFIERS FOR COPPER EXTRACTANT FORMULATIONS Cognis IP Management GmbH (DE) 2009-09-30 EP disclosed
EP-1673166-A4 ZIEGLER-NATTA CATALYST FOR POLYOLEFINS FINA TECHNOLOGY (US) 2009-06-17 EP disclosed
US-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ISDIN, S.A. (ES) 2008-08-14 US disclosed
US-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ISDIN, S.A. (ES) 2008-08-14 US disclosed
US-20080175772-A1 MORE EFFICIENT ETHER MODIFIERS FOR COPPER EXTRACTANT FORMULATIONS COGNIS IP MANAGEMENT GMBH (DE) 2008-07-24 US disclosed
WO-2008088473-A2 MORE EFFICIENT ETHER MODIFIERS FOR COPPER EXTRACTANT FORMULATIONS COGNIS IP MANAGEMENT GMBH (DE) 2008-07-24 WO disclosed
EP-1673166-A1 ZIEGLER-NATTA CATALYST FOR POLYOLEFINS FINA TECHNOLOGY, INC. (US) 2006-06-28 EP disclosed
US-20050085601-A1 Process for forming Ziegler-Natta catalyst for use in polyolefin production FINA TECHNOLOGY, INC. 2005-04-21 US disclosed
WO-2005032714-A1 ZIEGLER-NATTA CATALYST FOR POLYOLEFINS FINA TECHNOLOGY, INC. (US) 2005-04-14 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 (2 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-20080193398-A1 Derivatives of Heptaazaphenalene, Methods for Obtaining Them, and Their Use as Protecting Agents Against Uv Radiation ERCC4, XPA, CYP51A1 CYP3A4 107/4885L3MBTL1 4826/4885TSHR 4144/4885
US-20100047185-A1 ACTVIE SUBSTANCE COMBINATION UGT2B17, TACR2, UGT1A1 CYP3A4 202/4885L3MBTL1 4788/4885TSHR 2328/4885

“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.