SCHEMBL9708685

SCHEMBL9708685

O=C(O)C(Cl)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.44
ALDH1A1 P00352 2/20 0.41
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
DPP4 P27487 1/20 0.38
ATM Q13315 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
EPHX2 P34913 1/20 0.37
LMNA P02545 1/20 0.36
CPN1 P15169 1/20 0.36
CPB2 Q96IY4 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
TP53 P04637 1/20 0.34

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
SCHEMBL23042508 0.97 EPHX1 (0.41) EPHX1ALDH1A1CYP2C9CYP2C19HIF1A
SCHEMBL29013509 0.92
SCHEMBL11797010 0.87
SCHEMBL5275955 0.82 EPHX1 (0.46) EPHX1ALDH1A1DPP4ATMNPC1
SCHEMBL9754311 0.80 EPHX1 (0.44) EPHX1ALDH1A1DPP4ATMNPC1
SCHEMBL27991206 0.78 EPHX1 (0.60) EPHX1ALDH1A1DPP4ATMSMN1; SMN2
SCHEMBL7865468 0.76 ALDH1A1 (0.39) EPHX1ALDH1A1KDM4ELMNACPN1
SCHEMBL11373290 0.76 CES2 (0.44) EPHX1ALDH1A1DPP4ATMNPC1
SCHEMBL23042507 0.75 EPHX1 (0.56) EPHX1ALDH1A1DPP4TP53
SCHEMBL27851647 0.75 EPHX1 (0.40) EPHX1ALDH1A1CYP2C9CYP2C19HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3030555-B1 NOVEL PYRAZINE AMIDE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2019-01-30 EP disclosed
EP-3030555-A1 NOVEL PYRAZINE AMIDE COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2016-06-15 EP disclosed
US-9096548-B2 Pyrazine amide compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-08-04 US disclosed
US-20150045326-A1 NOVEL PYRAZINE AMIDE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-12 US disclosed
WO-2015018754-A1 NOVEL PYRAZINE AMIDE COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2015-02-12 WO disclosed
EP-0220034-B1 MALONATE DERIVATIVES USEFUL AS LIGHT STABILIZERS FOR PLASTICS ICI AMERICAS INC. (US) 1992-06-24 EP disclosed
US-4851461-A PHOTOSTABILIZERS ICI AMERICAS INC. (US) 1989-07-25 US disclosed
US-4804699-A Monomeric and oligomeric glutarate-based light stabilizers for plastics ICI AMERICAS INC. (US) 1989-02-14 US disclosed
EP-0291238-A2 Monomeric and oligomeric glutarate-based light stabilisers for plastics ICI AMERICAS INC. (US) 1988-11-17 EP disclosed
US-4710527-A STERICALLY HINDERED SPIROACETALS OF POLYALKYLPIPERIDIN-4-ONES ICI AMERICAS INC. (US) 1987-12-01 US disclosed
US-4701485-A Malonate-based light stabilizers for plastics ICI AMERICAS INC. (US) 1987-10-20 US disclosed
US-4689360-A SPIRO RING CONTAINING ESTERS ICI AMERICAS INC. (US) 1987-08-25 US disclosed
EP-0222512-A2 Malonate compounds useful as light stabilizers for plastics CYTEC TECHNOLOGY CORP. (US) 1987-05-20 EP disclosed
EP-0220034-A2 Malonate derivatives useful as light stabilizers for plastics ICI AMERICAS INC. (US) 1987-04-29 EP disclosed
EP-0219333-A2 Oligomeric malonates, useful as light stabilizers for plastics ICI AMERICAS INC. (US) 1987-04-22 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 (1 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-20150045326-A1 NOVEL PYRAZINE AMIDE COMPOUNDS HRH4, HRH1, HRH2 EPHX1 2899/4885ALDH1A1 1861/4885CYP2C9 1406/4885

“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.