SCHEMBL771048

SCHEMBL771048

Cc1ccc(C2CCCCC2)c(C)c1O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.41
ADRA2A P08913 2/20 0.40
ADRA2B P18089 2/20 0.40
ADRA2C P18825 2/20 0.40
SLC6A3 Q01959 2/20 0.40
ALDH1A1 P00352 1/20 0.38
FEN1 P39748 1/20 0.36
CEL P19835 1/20 0.36
NUDT1 P36639 1/20 0.36
BACE1 P56817 1/20 0.36
HSP90AA1 P07900 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PSMB5 P28074 1/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35
TRPA1 O75762 1/20 0.34

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
SCHEMBL23854308 0.86 ADRA2A (0.41) HTR2CADRA2AADRA2BADRA2CSLC6A3
SCHEMBL20036789 0.84 ALDH1A1 (0.41) HTR2CADRA2AADRA2BADRA2CSLC6A3
SCHEMBL20676750 0.81 FEN1 (0.39) HTR2CADRA2AADRA2BADRA2CSLC6A3
SCHEMBL30218222 0.81 ALDH1A1 (0.48) HTR2CALDH1A1FEN1PTGDR2TRPA1
SCHEMBL8954630 0.81 ALDH1A1 (0.48) HTR2CALDH1A1FEN1PTGDR2TRPA1
SCHEMBL11709395 0.81 ALDH1A1 (0.38) HTR2CADRA2AADRA2BADRA2CSLC6A3
SCHEMBL673222 0.81 ALDH1A1 (0.48) HTR2CALDH1A1FEN1PTGDR2TRPA1
SCHEMBL6390262 0.79 HTR2C (0.50) HTR2CALDH1A1CELKDM4EMEN1
Methane SCHEMBL9104929 0.79 ALDH1A1 (0.46) HTR2CALDH1A1FEN1PTGDR2TRPA1
SCHEMBL466853 0.78 ALDH1A1 (0.50) HTR2CALDH1A1FEN1KDM4ETRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2616429-B1 METHOD FOR PRODUCING AROMATIC AMINES BASF SE (DE) 2015-08-05 EP disclosed
CN-103209953-B Method for producing aromatic amines BASF SE 2015-05-27 CN disclosed
EP-2616429-A1 METHOD FOR PRODUCING AROMATIC AMINES BASF SE (DE) 2013-07-24 EP disclosed
CN-103209953-A Method for producing aromatic amines BASF SE 2013-07-17 CN disclosed
US-20120071692-A1 PROCESS FOR THE PREPARATION OF AROMATIC AMINES BASF SE (DE) 2012-03-22 US disclosed
WO-2012034933-A1 METHOD FOR PRODUCING AROMATIC AMINES BASF SE (DE) 2012-03-22 WO disclosed
CN-101208290-B Method for the continuous production of an amine BASF AG 2011-01-19 CN disclosed
US-7767855-B2 Method for the continuous production of an amine BASF SE (DE) 2010-08-03 US disclosed
EP-1899291-B1 METHOD FOR THE CONTINUOUS PRODUCTION OF AN AMINE BASF SE (DE) 2009-03-18 EP disclosed
US-20080200726-A1 Method For the Continuous Production of an Amine BASF AKTIENGESELLSCHAFT (DE) 2008-08-21 US disclosed
CN-101208290-A Method for the continuous production of an amine BASF AG (DE) 2008-06-25 CN disclosed
EP-0701995-B1 Process for the preparation of aromatic amines from aliphatic amines and the preparation of the latter by amino-hydrogenation BASF AG (DE) 1998-12-23 EP disclosed
US-5663438-A DEHYDROGENATION CATALYST BASF AKTIENGESELLSCHAFT (DE) 1997-09-02 US disclosed
EP-0701995-A2 Process for the preparation of aromatic amines from aliphatic amines and their preparation by hydrogenation in the presence of amines BASF AKTIENGESELLSCHAFT (DE) 1996-03-20 EP disclosed
EP-0167996-A1 Process for the preparation of cyclic amines substituted on the ring BASF Aktiengesellschaft (DE) 1986-01-15 EP 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-20120071692-A1 PROCESS FOR THE PREPARATION OF AROMATIC AMINES ADH1A, ADH5, ADH1C HTR2C 1506/4885ADRA2A 91/4885ADRA2B 426/4885

“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.