SCHEMBL9064418

SCHEMBL9064418

Cc1cc(C(C)C)cc(C(C)C)c1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRB2 P47870 1/20 0.46
FABP4 P15090 3/20 0.45
FABP3 P05413 2/20 0.45
FABP5 Q01469 1/20 0.43
LMNA P02545 4/20 0.38
TRPA1 O75762 2/20 0.37
PTGS1 P23219 2/20 0.37
CACNA1C Q13936 1/20 0.37
ALDH1A1 P00352 1/20 0.34
ADRA1A P35348 2/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
ADRA1D P25100 1/20 0.33
HTR1D P28221 1/20 0.33
HTR1B P28222 1/20 0.33
ADRA1B P35368 1/20 0.33
CHRM1 P11229 1/20 0.32
SLC6A2 P23975 1/20 0.32

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
SCHEMBL3079552 0.87 GABRA1 (0.52) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL11449736 0.84 LMNA (0.44) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL24191005 0.79 GABRA1 (0.34) GABRA1GABRB2LMNATRPA1PTGS1
SCHEMBL25767282 0.79 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL25767281 0.79 GABRA1 (0.31) GABRA1GABRB2
SCHEMBL19121112 0.78 GABRA1 (0.33) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL28503898 0.77 LMNA (0.50) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL1229146 0.77 LMNA (0.38) GABRA1GABRB2LMNATRPA1ALDH1A1
SCHEMBL6943696 0.76 GABRA1 (0.65) GABRA1GABRB2FABP4FABP3FABP5
SCHEMBL20285914 0.76 GABRA1 (0.43) GABRA1GABRB2FABP4FABP3FABP5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2017-06-22 US disclosed
EP-0564979-B1 Method for the production of dixylylpropane HOECHST AG (DE) 1996-08-28 EP disclosed
US-5300717-A Reacting o-xylene with propene; Friedel-Crafts catalyst; dehydrogenation. chlorination, condensation; intermediate for bisanhydride precursor for polyimides HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-05 US disclosed
EP-0564979-A2 Method for the production of dixylylpropane HOECHST AKTIENGESELLSCHAFT (DE) 1993-10-13 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-20170174689-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL3 GABRA1 3538/4885GABRB2 2596/4885FABP4 3287/4885

“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.