SCHEMBL73781

SCHEMBL73781

CCCOc1cccc(OCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.59
ALDH1A1 P00352 2/20 0.57
RECQL P46063 1/20 0.57
GPBAR1 Q8TDU6 1/20 0.49
CYSLTR1 Q9Y271 1/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 2/20 0.47
NR1I2 O75469 1/20 0.47
ACACB O00763 1/20 0.47
ACACA Q13085 1/20 0.47
ERN1 O75460 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
PLA2G4B P0C869 1/20 0.44
LTA4H P09960 1/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44

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
SCHEMBL4312075 0.90 ALDH1A1 (0.55) ALDH1A1RECQLGPBAR1CYSLTR1TSHR
SCHEMBL4568918 0.90 KMT2A (0.57) KMT2AALDH1A1RECQLGPBAR1CYSLTR1
1,3-Dipropoxybenzene SCHEMBL73716 0.89 KMT2A (0.63) KMT2AGPBAR1CYSLTR1KDM4ETSHR
SCHEMBL48418 0.89 ALDH1A1 (0.70) KMT2AALDH1A1RECQLTSHRNR1I2
SCHEMBL4568928 0.89 KMT2A (0.60) KMT2AALDH1A1GPBAR1CYSLTR1TSHR
SCHEMBL25182698 0.88 ALDH1A1 (0.57) KMT2AALDH1A1RECQLKDM4ETSHR
Ethylene Glycol SCHEMBL7206927 0.87 ALDH1A1 (0.67) KMT2AALDH1A1RECQLTSHRNR1I2
SCHEMBL4568921 0.87 KMT2A (0.58) KMT2AGPBAR1CYSLTR1TSHRNR1H4
Phenoxyethanol SCHEMBL12100847 0.86 ALDH1A1 (0.79) KMT2AALDH1A1RECQLNR1I2LTA4H
SCHEMBL19978961 0.85 KMT2A (0.49) KMT2AALDH1A1RECQLKDM4ETSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12029708-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2024-07-09 US disclosed
US-10040751-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2018-08-07 US disclosed
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2018-06-28 US disclosed
US-9737496-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2017-08-22 US disclosed
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ACUCELA INC. 2017-02-23 US disclosed
US-9458088-B2 Alkoxy compounds for disease treatment ACUCELA INC. (US) 2016-10-04 US disclosed
US-9441306-B2 Method for cathodic corrosion protection of chromium surfaces ATOTECH DEUTSCHLAND GMBH (DE) 2016-09-13 US disclosed
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS OCERA THERAPEUTICS LLC 2016-08-04 US disclosed
US-20160168725-A1 METHOD FOR CATHODIC CORROSION PROTECTION OF CHROMIUM SURFACES ATOTECH DEUTSCHLAND GMBH (DE) 2016-06-16 US disclosed
US-9181298-B2 Intermediates for macrocyclic compounds OCERA THERAPEUTICS, INC. (US) 2015-11-10 US disclosed
US-8129561-B2 Processes for intermediates for macrocyclic compounds TRANZYME PHARMA INC. (CA) 2012-03-06 US disclosed
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds IMC EXPLORATION COMPANY 2011-10-06 US disclosed
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-09-24 US disclosed
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS TRANZYME PHARMA INC. 2009-05-28 US disclosed
US-7521420-B2 Macrocyclic antagonists of the motilin receptor TRANZYME PHARMA, INC. (CA) 2009-04-21 US disclosed
CN-1105145-C Thermoplastic resin composition DAICEL CHEM (JP) 2003-04-09 CN disclosed
EP-1045826-A1 PROCESS FOR THE PREPARATION OF ISOPROPYL-METHYL- 2-(3-N-PROPOXYPHENOXY)ETHYL]AMINE AstraZeneca AB (SE) 2000-10-25 EP disclosed
WO-1999032430-A1 PROCESS FOR THE PREPARATION OF ISOPROPYL-METHYL-[2-(3-N-PROPOXYPHENOXY)ETHYL]AMINE ASTRAZENECA AB (SE) 1999-07-01 WO disclosed
CN-1206027-A Thermoplastic resin composition DAICEL CHEM (JP) 1999-01-27 CN disclosed
CN-1170015-A Thermoplastic resin composition DAICEL CHEM (JP) 1998-01-14 CN 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 (8 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-10040751-B2 Intermediates for macrocyclic compounds MLNR, CCKAR, CHRM2 KMT2A 3739/4885ALDH1A1 2745/4885RECQL 1353/4885
US-12029708-B2 Alkoxy compounds for disease treatment ALDH1A2, CLN6, AGER KMT2A 3103/4885ALDH1A1 140/4885RECQL 914/4885
US-20090137835-A1 PROCESSES FOR INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CHRM2, CHRM1 KMT2A 3986/4885ALDH1A1 2978/4885RECQL 1515/4885
US-20110245459-A1 Processes for Intermediates for Macrocyclic Compounds MLNR, CHRM2, CHRM1 KMT2A 3986/4885ALDH1A1 2978/4885RECQL 1515/4885
US-20160221927-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 KMT2A 3739/4885ALDH1A1 2745/4885RECQL 1353/4885
US-20090240027-A1 INTERMEDIATES FOR MACROCYCLIC COMPOUNDS MLNR, CCKAR, CHRM2 KMT2A 3760/4885ALDH1A1 2729/4885RECQL 1318/4885
US-20170049722-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885ALDH1A1 140/4885RECQL 914/4885
US-20180177746-A1 ALKOXY COMPOUNDS FOR DISEASE TREATMENT ALDH1A2, CLN6, AGER KMT2A 3103/4885ALDH1A1 140/4885RECQL 914/4885

“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.