SCHEMBL1653015

SCHEMBL1653015

CC(C)Cc1cccc(CC(C)CO)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
TRPA1 O75762 3/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41
PNMT P11086 1/20 0.40
TAAR1 Q96RJ0 4/20 0.38
SLC6A2 P23975 2/20 0.38
MAOA P21397 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
CYP2A6 P11509 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37

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
SCHEMBL8539519 0.85 GABRA1 (0.50) GABRA1GABRB2HTR2AHTR2CHTR2B
SCHEMBL4670802 0.83 GABRA1 (0.47) GABRA1GABRB2TRPA1PNMTTAAR1
SCHEMBL114824 0.83 PTGS1 (0.48) GABRA1GABRB2TRPA1HTR2A
SCHEMBL9117880 0.82 TAAR1 (0.46) TRPA1HTR2AHTR2CHTR2BPNMT
SCHEMBL1513596 0.81 SIGMAR1 (0.48) TRPA1TAAR1SIGMAR1
SCHEMBL1652966 0.81 TRPA1 (0.43) TRPA1HTR2AHTR2CHTR2BPNMT
SCHEMBL28951517 0.81 PNMT (0.65) PNMTTAAR1
SCHEMBL12934220 0.81 SIGMAR1 (0.48) TRPA1TAAR1SIGMAR1
SCHEMBL9338131 0.80 TDP1 (0.46) GABRA1GABRB2TRPA1PNMTTAAR1
SCHEMBL19119576 0.79 TAAR1 (0.53) GABRA1GABRB2HTR2ATAAR1SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2490992-A1 PROCESS FOR PREPARING M- OR P-SUBSTITUTED PHENYLALKANOLS BY ALKYLATION BASF SE (DE) 2012-08-29 EP disclosed
US-20120209031-A1 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2012-08-16 US disclosed
US-20120209030-A1 PROCESS FOR PREPARING M- OR P-SUBSTITUTED PHENYLALKANOLS BY ALKYLATION BASF SE (DE) 2012-08-16 US disclosed
CN-102596870-A Method for producing m-substituted phenylalkanols by means of isomerization BASF SE 2012-07-18 CN disclosed
CN-102574757-A Process for preparing m- or p-substituted phenylalkanols by alkylation BASF SE 2012-07-11 CN disclosed
WO-2011048012-A1 PROCESS FOR PREPARING M- OR P-SUBSTITUTED PHENYLALKANOLS BY ALKYLATION BASF SE (DE) 2011-04-28 WO disclosed
WO-2011048068-A2 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2011-04-28 WO 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-20120209031-A1 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION CRAT, CYP2E1, C9 GABRA1 3075/4885GABRB2 3457/4885TRPA1 105/4885
US-20120209030-A1 PROCESS FOR PREPARING M- OR P-SUBSTITUTED PHENYLALKANOLS BY ALKYLATION C9, CYP1A1, TMT1A GABRA1 2412/4885GABRB2 3289/4885TRPA1 142/4885

“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.