SCHEMBL2081028

SCHEMBL2081028

CC(/C=C/C(=O)O)=C\c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.51
GABRG2 P18507 1/20 0.51
GABRB3 P28472 1/20 0.51
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 5/20 0.46
ALDH1A1 P00352 3/20 0.46
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 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
SCHEMBL2081030 1.00 GABRA1 (0.51) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL2078967 0.80 MAPT (0.55) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL2078964 0.80 MAPT (0.55) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL2074915 0.80 GABRA1 (0.57) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL2074913 0.80 GABRA1 (0.57) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL2079696 0.79 TDP1 (0.44) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL2079693 0.79 TDP1 (0.44) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL12784704 0.79 TDP1 (0.44) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL7822858 0.78 GABRA1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT
SCHEMBL7822855 0.78 GABRA1 (0.56) GABRA1GABRG2GABRB3TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
US-7897601-B2 Cannabinoid receptor modulators INTERVET, INC. (US) 2011-03-01 US disclosed
EP-1973877-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2008-10-01 EP disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
US-20070197628-A1 Cannabinoid receptor modulators INTERVET INTERNATIONAL B.V. (NL) 2007-08-23 US disclosed
WO-2007084450-A2 CANNIBINOID RECEPTOR MODULATORS SCHERING CORPORATION (US) 2007-07-26 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-20070197628-A1 Cannabinoid receptor modulators CNR1, CNR2, GPR18 GABRA1 86/4885GABRG2 229/4885GABRB3 278/4885

“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.