SCHEMBL3083609

SCHEMBL3083609

Cc1ccc(C2OCCCO2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
MAPT P10636 2/20 0.37
ACHE P22303 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 3/20 0.36
LMNA P02545 1/20 0.36
ALOX12 P18054 1/20 0.36
SLC18A3 Q16572 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 3/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
HPGD P15428 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL14864491 0.94 RAB9A (0.48) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL8363106 0.91 RAB9A (0.50) RAB9AMAPTACHETDP1SMN1; SMN2
SCHEMBL9451018 0.88 MEN1 (0.41) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL9778697 0.84 KDM4E (0.44) RAB9ASMN1; SMN2ALDH1A1LMNAKMT2A
SCHEMBL9778775 0.80 HRH3 (0.50) RAB9AMAPTACHESMN1; SMN2ALDH1A1
SCHEMBL17818427 0.79 SLC18A3 (0.40) RAB9AMAPTSMN1; SMN2ALDH1A1LMNA
SCHEMBL9778800 0.78 KCNH2 (0.44) SMN1; SMN2ALDH1A1KMT2AMEN1
SCHEMBL13337975 0.78 SMN1; SMN2 (0.37) RAB9AMAPTSMN1; SMN2LMNAKMT2A
SCHEMBL2633867 0.77 MAPK1 (0.47) ALDH1A1LMNASLC18A3KMT2AMAPK1
SCHEMBL13262184 0.77 HPGD (0.34) RAB9ASMN1; SMN2ALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0137968-B1 PROCESS FOR THE PREPARATION OF 1-ARYLPROPANE-1,3-DIOL DIACYLATES HÜLS AKTIENGESELLSCHAFT (DE) 1988-03-09 EP claimed
US-9309463-B2 Liquid crystal compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2016-04-12 US disclosed
US-8956552-B2 Cyclohexene-3,6-diyl compound, liquid crystal composition and liquid crystal display device JNC CORPORATION (JP) 2015-02-17 US disclosed
US-8846164-B2 Compound having propyl ether as bonding group, liquid crystal composition thereof and liquid crystal display device thereof JNC CORPORATION (JP) 2014-09-30 US disclosed
US-20140077131-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2014-03-20 US disclosed
US-20130277612-A1 CYCLOHEXENE-3,6-DIYL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION 2013-10-24 US disclosed
US-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF ALLA CHEM LLC (US) 2013-09-26 US disclosed
US-20130126783-A1 COMPOUND HAVING PROPYL ETHER AS BONDING GROUP, LIQUID CRYSTAL COMPOSITION THEREOF AND LIQUID CRYSTAL DISPLAY DEVICE THEREOF JNC PETROCHEMICAL CORPORATION (JP) 2013-05-23 US disclosed
US-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE JNC PETROCHEMICAL CORPORATION (JP) 2012-07-05 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20100117030-A1 Monocapped conductive polymers with alkenyl or alkynyl end groups and block copolymers therefrom CARNEGIE MELLON UNIVERSITY 2010-05-13 US disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
US-5744676-A DIMERIZATION, CATALYSTS AMOCO CORPORATION 1998-04-28 US 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 (3 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-20120168677-A1 LIQUID CRYSTAL COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY DEVICE CXCR1, OCIAD1, LEO1 RAB9A 1106/4885MAPT 1566/4885ACHE 4704/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 RAB9A 1066/4885MAPT 2397/4885ACHE 403/4885
US-20130253008-A1 SUBSTITUTED AZOLES, ANTIVIRAL ACTIVE COMPONENT, PHARMACEUTICAL COMPOSITION, METHOD FOR PREPARATION AND USE THEREOF HCCS, EIF2AK2, HAVCR2 RAB9A 4117/4885MAPT 4737/4885ACHE 4289/4885

“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.