SCHEMBL1655425

SCHEMBL1655425

CCc1ccc(CC(C)(C)CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.47
TP53 P04637 2/20 0.47
MEN1 O00255 1/20 0.47
GMNN O75496 1/20 0.47
GABBR2 O75899 1/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
BLM P54132 1/20 0.47
PMP22 Q01453 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL11161013 0.91 LMNA (0.54) ALDH1A1TP53MEN1GMNNGABBR2
SCHEMBL11507873 0.84 BLM (0.48) ALDH1A1TP53MEN1GMNNGABBR2
SCHEMBL2958721 0.82 CYP1A2 (0.47) ALDH1A1TP53MEN1GMNNGABBR2
SCHEMBL14350828 0.81 TP53 (0.42) ALDH1A1TP53LMNACYP2C9TSHR
SCHEMBL3160963 0.80 ALDH1A1 (0.46) ALDH1A1TP53MEN1GMNNGABBR2
SCHEMBL2554590 0.80 SLC6A4 (0.57) ALDH1A1TP53MEN1GMNNGABBR2
Alcohol SCHEMBL2979717 0.80 SLC6A2 (0.50) ALDH1A1TP53MEN1GMNNGABBR2
SCHEMBL1653788 0.79 TP53 (0.46) ALDH1A1TP53MEN1GMNNGABBR2
SCHEMBL113690 0.79 SLC6A2 (0.54) ALDH1A1TP53MEN1GMNNGABBR2
Ammonia Solution, Strong SCHEMBL28282036 0.77 SLC6A2 (0.52) ALDH1A1TP53MEN1GMNNGABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2490993-B1 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2014-06-11 EP claimed
EP-2490993-A2 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2012-08-29 EP claimed
US-20120209031-A1 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2012-08-16 US claimed
EP-2134377-B1 FRAGRANCE DISPENSER SYMRISE AG (DE) 2012-07-18 EP claimed
US-8191796-B2 Fragrance dispenser SYMRISE AG (DE) 2012-06-05 US claimed
WO-2011048068-A2 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2011-04-28 WO claimed
US-20100056422-A1 FRAGRANCE DISPENSER SYMRISE GMBH & CO. KG (DE) 2010-03-04 US claimed
EP-2134377-A1 FRAGRANCE DISPENSER Symrise GmbH & Co. KG (DE) 2009-12-23 EP claimed
WO-2008104226-A1 FRAGRANCE DISPENSER SYMRISE GMBH & CO. KG (DE) 2008-09-04 WO claimed
CN-102574757-B M-or to substituted-phenyl alkanol method is prepared by alkylation BASF SE (DE) 2015-12-02 CN disclosed
CN-102596870-B Method for producing m-substituted phenylalkanols by means of isomerization BASF SE 2014-11-05 CN disclosed
EP-2490993-B1 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2014-06-11 EP disclosed
EP-2490992-B1 PROCESS FOR PREPARING M- OR P-SUBSTITUTED PHENYLALKANOLS BY ALKYLATION BASF SE (DE) 2014-01-29 EP disclosed
EP-2490993-A2 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2012-08-29 EP disclosed
EP-0950087-B1 COMPOSITIONS CONTAINING PERFUME GIVAUDAN NEDERLAND SERVICES B (NL) 2010-08-11 EP disclosed
US-20100056422-A1 FRAGRANCE DISPENSER SYMRISE GMBH & CO. KG (DE) 2010-03-04 US disclosed
EP-2134377-A1 FRAGRANCE DISPENSER Symrise GmbH & Co. KG (DE) 2009-12-23 EP disclosed
WO-2008104226-A1 FRAGRANCE DISPENSER SYMRISE GMBH & CO. KG (DE) 2008-09-04 WO disclosed
US-6194375-B1 VINYL ALCOHOL POLYMERS QUEST INTERNATIONAL B.V. (NL) 2001-02-27 US disclosed
US-6024943-A POLYMER CORES WITH COATINGS QUEST INTERNATIONAL B.V. (NL) 2000-02-15 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-20120209031-A1 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION CRAT, CYP2E1, C9 ALDH1A1 22/4885TP53 2406/4885MEN1 1801/4885

“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.