SCHEMBL12295349

SCHEMBL12295349

CC(C)c1cc(Cl)cc(Cl)c1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.56
GABRB1 P18505 1/20 0.56
ALDH1A1 P00352 4/20 0.52
TSHR P16473 5/20 0.42
AHR P35869 5/20 0.42
HSD17B10 Q99714 4/20 0.42
HPGD P15428 3/20 0.42
CYP3A4 P08684 3/20 0.41
LMNA P02545 3/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
CASP1 P29466 1/20 0.36
RECQL P46063 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
PNMT P11086 1/20 0.35
GLA P06280 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL22525916 0.87 GABRA1 (0.64) GABRA1GABRB1ALDH1A1TSHRHPGD
SCHEMBL17553260 0.81 ALDH1A1 (0.48) GABRA1GABRB1ALDH1A1TSHRAHR
SCHEMBL16954745 0.81 ALDH1A1 (0.48) GABRA1GABRB1ALDH1A1TSHRAHR
SCHEMBL27999892 0.81 ALDH1A1 (0.48) GABRA1GABRB1ALDH1A1TSHRAHR
SCHEMBL13220712 0.80 GABRA1 (0.56) GABRA1GABRB1ALDH1A1TSHRAHR
SCHEMBL9603854 0.78 GABRA1 (0.54) GABRA1GABRB1ALDH1A1TSHRAHR
SCHEMBL17736308 0.78 GABRA1 (0.54) GABRA1GABRB1ALDH1A1TSHRAHR
SCHEMBL20314853 0.78 LMNA (0.42) GABRA1GABRB1ALDH1A1TSHRHSD17B10
SCHEMBL18112478 0.77 CYP3A4 (0.58) GABRA1GABRB1ALDH1A1TSHRAHR
SCHEMBL38660144 0.77 CYP3A4 (0.58) GABRA1GABRB1ALDH1A1TSHRAHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073858-B2 Methods of targeted drug development Errico, Joseph P. (US) 2015-07-07 US disclosed
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-07-10 US disclosed
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2014-06-12 US disclosed
US-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE GENENTECH, INC. (US) 2013-04-18 US disclosed
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT Errico, Joseph P. (US) 2011-12-08 US disclosed
WO-2011113802-A2 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-09-22 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 (4 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-20130096104-A1 IMIDAZOPYRIDINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE TYK2, IRAK1, IRAK4 GABRA1 1485/4885GABRB1 1476/4885ALDH1A1 4161/4885
US-20110301193-A1 METHODS AND COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 GABRA1 2131/4885GABRB1 2311/4885ALDH1A1 4348/4885
US-20140163069-A1 COMPOSITIONS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB3 GABRA1 2462/4885GABRB1 2164/4885ALDH1A1 4385/4885
US-20140194439-A1 METHODS OF TARGETED DRUG DEVELOPMENT EGFR, ERBB2, ERBB4 GABRA1 2042/4885GABRB1 2068/4885ALDH1A1 4003/4885

“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.