SCHEMBL3369248

SCHEMBL3369248

CC(O)Cc1ccccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.46
GABRB2 P47870 3/20 0.46
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
SLC6A2 P23975 3/20 0.43
LMNA P02545 3/20 0.43
TSHR P16473 2/20 0.43
FAAH O00519 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
HPGD P15428 1/20 0.43
GABRB1 P18505 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2C P28335 1/20 0.43
GABRA5 P31644 1/20 0.43
GABRA3 P34903 1/20 0.43
HTR2B P41595 1/20 0.43
GABRA2 P47869 1/20 0.43

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
SCHEMBL5988255 0.84 GABRA1 (0.46) GABRA1GABRB2SLC6A2LMNAPTGS1
SCHEMBL18945455 0.83 LMNA (0.41) GABRA1GABRB2SLC6A2LMNATSHR
SCHEMBL24716725 0.83 GABRA1 (0.43) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL6681972 0.82 GABRA1 (0.52) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL27628864 0.79 GABRA1 (0.45) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL15820759 0.78 SLC6A2 (0.50) GABRA1GABRB2SLC6A2HTR2CHTR2B
SCHEMBL357956 0.77 GABRA1 (0.58) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL28261836 0.77 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL9839884 0.77 GABRA1 (0.48) GABRA1GABRB2GABRG2GABRB3SLC6A2
SCHEMBL21176962 0.76 TSHR (0.34) GABRA1GABRB2SLC6A2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1654242-B1 PROCESS FOR PRODUCING ALKYLENE OXIDE SHELL INT RESEARCH (NL) 2010-09-08 EP claimed
JP-2007521295-A 2007-08-02 JP claimed
US-7189886-B2 Process for producing alkylbenzene SHELL OIL COMPANY (US) 2007-03-13 US claimed
US-20060189836-A9 Process for producing alkylbenzene MURRAY BRENDAN D 2006-08-24 US claimed
EP-1654242-A2 PROCESS FOR PRODUCING ALKYLENE OXIDE Shell Internationale Research Maatschappij B.V. (NL) 2006-05-10 EP claimed
EP-1644304-A2 PROCESS FOR PRODUCING ALKYLBENZENE SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-04-12 EP claimed
US-20050054890-A1 Process for producing alkylbenzene MURRAY BRENDAN DERMOT (US) 2005-03-10 US claimed
US-20050020840-A1 Process for producing alkylene oxide SHELL OIL COMPANY 2005-01-27 US claimed
WO-2005005350-A2 PROCESS FOR PRODUCING ALKYLBENZENE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-01-20 WO claimed
WO-2005005402-A2 PROCESS FOR PRODUCING ALKYLENE OXIDE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-01-20 WO claimed
US-7193093-B2 Process for producing alkylene oxide SHELL OIL COMPANY (US) 2007-03-20 US disclosed
US-7189886-B2 Process for producing alkylbenzene SHELL OIL COMPANY (US) 2007-03-13 US disclosed
US-20060189836-A9 Process for producing alkylbenzene MURRAY BRENDAN D 2006-08-24 US disclosed
EP-1644304-A2 PROCESS FOR PRODUCING ALKYLBENZENE SHELL INTERNATIONAL RESEARCH MAATSCHAPPIJ B.V. (NL) 2006-04-12 EP disclosed
US-20050054890-A1 Process for producing alkylbenzene MURRAY BRENDAN DERMOT (US) 2005-03-10 US disclosed
US-20050020840-A1 Process for producing alkylene oxide SHELL OIL COMPANY 2005-01-27 US disclosed
WO-2005005350-A2 PROCESS FOR PRODUCING ALKYLBENZENE SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2005-01-20 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 (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-20050020840-A1 Process for producing alkylene oxide ADH1C, ADH1A, ADH5 GABRA1 1454/4885GABRB2 655/4885GABRG2 1175/4885

“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.