SCHEMBL6883353

SCHEMBL6883353

CCCCN(CC1CCCO1)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 1/20 0.43
OXTR P30559 5/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
AVPR1A P37288 4/20 0.36
HTT P42858 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
HTR1A P08908 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
PER2 O15055 1/20 0.36
CRY1 Q16526 1/20 0.36
CRY2 Q49AN0 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
RORC P51449 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
AVPR2 P30518 1/20 0.35
AVPR1B P47901 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
SCHEMBL6884471 0.92 RORC (0.39) OXTRL3MBTL1AVPR1AALDH1A1MAPK1
SCHEMBL6883090 0.87 RAB9A (0.43) OXTRL3MBTL1AVPR1AALDH1A1MAPK1
SCHEMBL6881609 0.79 BCHE (0.46)
SCHEMBL6873383 0.79 L3MBTL1 (0.44) OXTRL3MBTL1AVPR1AALDH1A1MAPK1
SCHEMBL30525531 0.76 LMNA (0.47) HTTALDH1A1HTR1AKDM4EMEN1
SCHEMBL1836555 0.76 LMNA (0.47) HTTALDH1A1HTR1AKDM4EMEN1
SCHEMBL6880642 0.73 LMNA (0.44) CRHR1ALDH1A1HTR1AKDM4E
SCHEMBL6881281 0.73 LMNA (0.44) CRHR1HTTALDH1A1HTR1AKDM4E
SCHEMBL6884073 0.73 LMNA (0.44) HTTALDH1A1HTR1AKDM4EMEN1
SCHEMBL6882362 0.72 LMNA (0.43) HTTALDH1A1HTR1AKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040242891-A1 Production of keto acids CAMPBELL JONATHAN (GB) 2004-12-02 US disclosed
EP-1442009-A1 PRODUCTION OF KETO ACIDS Ciba SC Holding AG (CH) 2004-08-04 EP disclosed
US-6635602-B1 Heat sensitive and pressure sensitive recording material; synthesised directly by the reaction of two derivatives of amino phenols, phthalic anhydrides, keto acids and/or diphenylamines with a phenol derivative CIBA SPECIALTY CHEMICALS CORPORATION 2003-10-21 US disclosed
US-6566302-B1 For use in heat sensitive and pressure sensitive recording materials CIBA SPECIALTY CHEMICALS CORPORATION 2003-05-20 US disclosed
WO-2003037846-A1 PRODUCTION OF KETO ACIDS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2003-05-08 WO disclosed
EP-1107972-B1 PREPARATION PROCESS FOR MANUFACTURE AND PURIFICATION OF MIXTURES OF FLUORAN COMPOUNDS AND RECORDING MATERIAL COMPRISING SAID MIXTURES OF FLUORAN CIBA SC HOLDING AG (CH) 2003-01-02 EP disclosed
EP-1115579-B1 MONOPHASE SOLID SOLUTIONS COMPRISING A PLURALITY OF COLOUR FORMER COMPOUNDS AND PROCESS FOR THEIR PREPARATION CIBA SC HOLDING AG (CH) 2002-11-20 EP disclosed
EP-0853079-B1 Production of keto acids CIBA SC HOLDING AG (CH) 2002-06-05 EP disclosed
US-5925787-A Production of keto acids CIBA SPECIALTY CHEMICALS CORPORATION (US) 1999-07-20 US disclosed
EP-0853079-A1 Production of keto acids Ciba SC Holding AG (CH) 1998-07-15 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-20040242891-A1 Production of keto acids PKLR, KHK, ME1 CRHR1 323/4885OXTR 531/4885L3MBTL1 1776/4885

“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.