SCHEMBL444104

SCHEMBL444104

CC(CO)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
TP53 P04637 1/20 0.55
EBP Q15125 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
RECQL P46063 1/20 0.46
ACACB O00763 3/20 0.45
LMNA P02545 2/20 0.41
EPHX1 P07099 1/20 0.41
TYR P14679 1/20 0.41
REN P00797 1/20 0.41
COPS5 Q92905 1/20 0.40
TRPA1 O75762 2/20 0.40
EPHX2 P34913 1/20 0.40
GRIA4 P48058 1/20 0.40

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
SCHEMBL8323180 1.00 TSHR (0.55) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL8967452 1.00 TSHR (0.55) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL6989159 0.91 TP53 (0.50) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL17706564 0.86 TP53 (0.46) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL11459690 0.83 ADORA3 (0.52) TSHRTP53EBPSIGMAR1ACACB
SCHEMBL10454154 0.82 TP53 (0.38) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL6381994 0.82 TSHR (0.52) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL29160521 0.81 TP53 (0.68) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL6044363 0.81 TP53 (0.51) TSHRTP53EBPSIGMAR1RECQL
SCHEMBL6044360 0.81 TP53 (0.51) TSHRTP53EBPSIGMAR1RECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190010293-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
US-20190010427-A1 SILICONE COMPOUNDS THE PROCTER & GAMBLE COMPANY 2019-01-10 US claimed
CN-102596870-B Method for producing m-substituted phenylalkanols by means of isomerization BASF SE 2014-11-05 CN claimed
EP-2490993-B1 METHOD FOR PRODUCING M-SUBSTITUTED PHENYLALKANOLS BY MEANS OF ISOMERIZATION BASF SE (DE) 2014-06-11 EP claimed
CN-103304388-A Asymmetric synthesis method of (R)- or (S)-Lily aldehyde FOURTH MILITARY MEDICAL UNIV 2013-09-18 CN claimed
EP-2568954-A2 FRAGRANT FORMULATIONS, METHODS OF MANUFACTURE THEREOF AND ARTICLES COMPRISING THE SAME Segetis, Inc. (US) 2013-03-20 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
CN-102596870-A Method for producing m-substituted phenylalkanols by means of isomerization BASF SE 2012-07-18 CN claimed
EP-2072083-B1 Utilisation of 2.4'-dimethyl-propiophenon as an aroma SYMRISE AG (DE) 2012-02-15 EP claimed
EP-0799299-A4 SILICONE COMPOSITIONS PROCTER & GAMBLE (US) 1999-08-18 EP claimed
EP-0794763-A4 SILICONE COMPOSITIONS PROCTER & GAMBLE (US) 1999-06-09 EP claimed
EP-0799299-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-10-08 EP claimed
EP-0799300-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-10-08 EP claimed
EP-0794763-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-17 EP claimed
EP-0792110-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1997-09-03 EP claimed
WO-1996019561-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
WO-1996019194-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
WO-1996019119-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed
WO-1996019562-A1 SILICONE COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 1996-06-27 WO claimed

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 TSHR 3887/4885TP53 2406/4885EBP 193/4885

“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.