SCHEMBL99022

SCHEMBL99022

O=[C]CCCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
SIGMAR1 Q99720 3/20 0.46
EPHX1 P07099 1/20 0.37
HPGD P15428 1/20 0.35
KDM5A P29375 2/20 0.35
PHF8 Q9UPP1 2/20 0.35
KDM2A Q9Y2K7 2/20 0.35
CEL P19835 2/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM4A O75164 1/20 0.35
METAP1 P53582 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
SCHEMBL8390897 1.00 CYP1A2 (0.50) CYP1A2SIGMAR1EPHX1HPGDKDM5A
SCHEMBL2076620 0.98 CYP1A2 (0.46) CYP1A2SIGMAR1EPHX1HPGDKDM5A
SCHEMBL7350448 0.93 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL97094 0.93 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL1335898 0.93 SIGMAR1 (0.50) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL8944658 0.93
SCHEMBL7458663 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL7458143 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL7452816 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1EPHX1KDM5APHF8
SCHEMBL7457536 0.91 SIGMAR1 (0.54) CYP1A2SIGMAR1EPHX1KDM5APHF8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102947378-A Clarified polypropylene articles with improved optical properties and/or increased temperature of crystallization BASF SE 2013-02-27 CN claimed
US-7666866-B2 Antithrombotic diamides ELI LILLY AND COMPANY (US) 2010-02-23 US claimed
EP-1819693-B1 ANTITHROMBOTIC DIAMIDES LILLY CO ELI (US) 2009-08-26 EP claimed
US-20090062271-A1 Antithrombotic Diamides ELI LILLY AND COMPANY (US) 2009-03-05 US claimed
EP-1819693-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2007-08-22 EP claimed
EP-1301829-A4 RADIATION SENSITIVE COMPOSITIONS CONTAINING IMAGE QUALITY AND PROFILE ENHANCEMENT ADDITIVES FUJIFILM ELECTRONIC MATERIALS (US) 2006-06-28 EP claimed
WO-2006057868-A1 ANTITHROMBOTIC DIAMIDES ELI LILLY AND COMPANY (US) 2006-06-01 WO claimed
EP-1516877-A1 Amine derivatives as protease inhibitors AXYS PHARMACEUTICALS, INC. (US) 2005-03-23 EP claimed
US-20040186151-A1 Substituted azole derivatives as therapeutic agents TRANSTECH PHARMA, INC. 2004-09-23 US claimed
WO-2004071448-A2 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES TRANSTECH PHARMA INC. (US) 2004-08-26 WO claimed
WO-2000055144-A1 AMINE DERIVATIVES AS PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2000-09-21 WO claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP claimed
US-5856556-A Azetidinone derivatives, a process for their preparation and their use as intermediates in the preparation of carbapenem antibiotics SANKYO COMPANY, LIMITED (JP) 1999-01-05 US claimed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO claimed

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-20090062271-A1 Antithrombotic Diamides TFPI, SERPINC1, TFPI2 CYP1A2 936/4885SIGMAR1 4478/4885EPHX1 448/4885
US-20040186151-A1 Substituted azole derivatives as therapeutic agents PTPRS, PTPRO, PTPRJ CYP1A2 472/4885SIGMAR1 4632/4885EPHX1 889/4885

“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.