SCHEMBL2234127

SCHEMBL2234127

CCCC1CCC(Cl)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.39
CYP1A2 P05177 2/20 0.39
LMNA P02545 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
TLR4 O00206 1/20 0.33
PKM P14618 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
FYN P06241 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA1 P00915 1/20 0.31

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
SCHEMBL21220106 0.97 CYP2C9 (0.38) CYP2C9CYP1A2LMNAALDH1A1MAPT
SCHEMBL5951231 0.93 TLR4 (0.41) CYP2C9CYP1A2LMNAALDH1A1MAPT
SCHEMBL4544760 0.93 TLR4 (0.41) CYP2C9CYP1A2LMNAALDH1A1MAPT
SCHEMBL23334078 0.91 CYP1A2 (0.43) CYP2C9CYP1A2LMNAALDH1A1MAPT
SCHEMBL6410601 0.87 CYP2C9 (0.40) CYP2C9CYP1A2LMNAALDH1A1MAPT
SCHEMBL129995 0.85
SCHEMBL5691374 0.85 CYP1A2 (0.48) CYP2C9CYP1A2LMNAALDH1A1MAPT
SCHEMBL9555982 0.84 CYP1A2 (0.58) CYP2C9CYP1A2LMNAMAPTMAPK1
SCHEMBL9555985 0.84 CYP1A2 (0.58) CYP2C9CYP1A2LMNAMAPTMAPK1
Acetic Acid SCHEMBL8734367 0.83 TLR4 (0.46) CYP2C9CYP1A2LMNAALDH1A1MAPT

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-8975247-B2 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNION UNIVERSITY (US) 2015-03-10 US disclosed
US-8945420-B2 Liquid crystal display and liquid crystalline medium MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-8945420-B2 Liquid crystal display and liquid crystalline medium MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
US-8945420-B2 Liquid crystal display and liquid crystalline medium MERCK PATENT GMBH (DE) 2015-02-03 US disclosed
EP-2562162-A1 5-FLUORO PYRIMIDINE DERIVATIVES AS FUNGICIDES Dow AgroSciences LLC (US) 2013-02-27 EP disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-12-06 US disclosed
WO-2011098202-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-08-18 WO disclosed
WO-2011098202-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2011-08-18 WO disclosed
US-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY 2010-01-21 US disclosed
EP-0688752-B1 Trifluoro-2-(trans-4-substituted cyclohexyl) ethylenes and process for their production ASAHI GLASS CO LTD (JP) 1999-01-13 EP disclosed
US-5621147-A LIQUID CRYSTAL INTERMEDIATES ASAHI GLASS COMPANY LTD. (JP) 1997-04-15 US disclosed
EP-0688752-A1 Trifluoro-2-(trans-4-substituted cyclohexyl) ethylenes and process for their production ASAHI GLASS COMPANY LTD. (JP) 1995-12-27 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 (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-20100015093-A1 Methods and compositions of treating a flaviviridae family viral infection EIF2AK2, NSUN3, NSUN2 CYP2C9 4198/4885CYP1A2 3545/4885LMNA 1328/4885
US-20120307177-A1 LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTALLINE MEDIUM CUTA, NEFM, FES CYP2C9 3493/4885CYP1A2 2680/4885LMNA 175/4885

“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.