SCHEMBL223504

SCHEMBL223504

CC(C)(C)c1cccc(OCCCO)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.58
LMNA P02545 1/20 0.58
POLB P06746 1/20 0.58
HTT P42858 1/20 0.58
SOD1 P00441 1/20 0.49
FFAR1 O14842 2/20 0.48
PPARG P37231 2/20 0.48
PPARD Q03181 2/20 0.48
TRPV1 Q8NER1 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MAPT P10636 2/20 0.42
ACSS2 Q9NR19 1/20 0.41
ALDH1A1 P00352 2/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
RECQL P46063 1/20 0.41
HTR1A P08908 1/20 0.41

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
SCHEMBL10651034 0.93 LMNA (0.56) L3MBTL1LMNAPOLBHTTSOD1
SCHEMBL13165245 0.91 L3MBTL1 (0.56) L3MBTL1LMNAPOLBHTTSOD1
SCHEMBL19647563 0.86 L3MBTL1 (0.46) L3MBTL1LMNAPOLBHTTSOD1
SCHEMBL12251342 0.84 L3MBTL1 (0.60) L3MBTL1LMNAPOLBHTTSOD1
SCHEMBL21849219 0.84 L3MBTL1 (0.56) L3MBTL1LMNAPOLBHTTSOD1
SCHEMBL485746 0.84 SOD1 (0.53) L3MBTL1LMNAPOLBHTTSOD1
SCHEMBL10224112 0.83 L3MBTL1 (0.58) L3MBTL1LMNAPOLBHTTSOD1
SCHEMBL2089596 0.83 L3MBTL1 (0.57) L3MBTL1LMNAHTTALDH1A1
SCHEMBL12062140 0.83 L3MBTL1 (0.58) L3MBTL1LMNAPOLBHTTSOD1
SCHEMBL20267505 0.83 L3MBTL1 (0.58) L3MBTL1LMNAPOLBHTTSOD1

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-2590929-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2013-05-15 EP disclosed
WO-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed
WO-2012010413-A1 ARYLOXY-ALKYLENE SUBSTITUTED HYDROXYPHENYL HEXYNOIC ACIDS, METHODS FOR THE PRODUCTION THEREOF AND USE OF THE SAME AS MEDICAMENT SANOFI (FR) 2012-01-26 WO disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US disclosed
US-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT SANOFI (FR) 2012-01-05 US disclosed
US-5242936-A Phenoxy alkanol esters for treatment of allergic conditions Berger, Frank M. (US) 1993-09-07 US disclosed
US-5021460-A P-alkyl phenoxy alkanols for the treatment of allergic conditions Berger, Frank M. (US) 1991-06-04 US disclosed
US-4816491-A Treatment of allergic conditions using indanyloxy-alkanol derivatives Berger, Frank M. (US) 1989-03-28 US disclosed
EP-0162975-B1 P-ALKYL OR CYCLOALKYL PHENOXY ALKANOLS AND ALKANOL ESTERS AND USE FOR THE TREATMENT OF ALLERGIC CONDITIONS PHARMACO DEVELOPMENT PARTNERS (US) 1988-07-27 EP disclosed
EP-0162975-A1 P-alkyl or cycloalkyl phenoxy alkanols and alkanol esters and use for the treatment of allergic conditions PHARMACO DEVELOPMENT PARTNERS (US) 1985-12-04 EP disclosed
US-4543362-A P-Alkyl or cycloalkyl phenoxy alkanols and alkanol esters and process for the treatment of allergic conditions Berger, Frank M. (US) 1985-09-24 US disclosed
US-4451474-A T-Butyl-phenoxy-alkylene esters of benzoic and nicotinic acids, compositions containing same and their antihistaminic method of use Berger, Frank M. (US) 1984-05-29 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 (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-20120004166-A1 ARYLOXYALKYLENE-SUBSTITUTED HYDROXYPHENYLHEXYNOIC ACIDS, PROCESS FOR PREPARATION THEREOF AND USE THEREOF AS A MEDICAMENT HCAR1, HCAR3, CYP2C9 L3MBTL1 4342/4885LMNA 3353/4885POLB 4276/4885

“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.