SCHEMBL1654191

SCHEMBL1654191

CC(C)Cc1cccc(CC(C)C=O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.49
TSHR P16473 1/20 0.49
GABRA1 P14867 2/20 0.39
GABRB2 P47870 2/20 0.39
PNMT P11086 1/20 0.39
TAAR1 Q96RJ0 5/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 2/20 0.36
MAOA P21397 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
CYP2A6 P11509 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
GRIN2D O15399 1/20 0.36

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
SCHEMBL16335024 0.86 TP53 (0.44) TP53TSHRPNMTTAAR1MEN1
SCHEMBL28545518 0.85 TP53 (0.47) TP53TSHRMEN1KMT2APTGS2
SCHEMBL225582 0.84 TSHR (0.66) TP53TSHRMEN1KMT2AHTR2A
SCHEMBL31412811 0.84 TSHR (0.66) TP53TSHRMEN1KMT2AHTR2A
SCHEMBL8539519 0.83 GABRA1 (0.50) GABRA1GABRB2PNMTTAAR1SLC6A2
SCHEMBL9631362 0.83 TP53 (0.47) TP53TSHRTAAR1MEN1KMT2A
SCHEMBL27864550 0.81 PNMT (0.62) TP53TSHRPNMTTAAR1
SCHEMBL229402 0.81 TP53 (0.46) TP53TSHRPNMTTAAR1MEN1
SCHEMBL9600634 0.81 TP53 (0.46) TP53TSHRPNMTTAAR1SLC6A2
SCHEMBL3484487 0.79 TP53 (0.60) TP53TSHRTAAR1MEN1KMT2A

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 16 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-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-2490992-A1 PROCESS FOR PREPARING M- OR P-SUBSTITUTED PHENYLALKANOLS BY ALKYLATION BASF SE (DE) 2012-08-29 EP disclosed
EP-2490993-A2 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION 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-20120209031-A1 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2012-08-16 US 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-2011048068-A2 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2011-04-28 WO 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 TP53 2406/4885TSHR 3887/4885GABRA1 3075/4885
US-20120209030-A1 PROCESS FOR PREPARING M- OR P-SUBSTITUTED PHENYLALKANOLS BY ALKYLATION C9, CYP1A1, TMT1A TP53 2026/4885TSHR 2949/4885GABRA1 2412/4885

“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.