SCHEMBL18999985

SCHEMBL18999985

CC(C)c1ccc(C(F)F)c(C(C)C)c1C(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
LMNA P02545 2/20 0.33
SLC6A2 P23975 2/20 0.33
HTR2B P41595 2/20 0.33
GABRB2 P47870 2/20 0.33
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
PTGS1 P23219 1/20 0.33
HTR2C P28335 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 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
SCHEMBL1292825 0.86 GABRA1 (0.41) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL15082620 0.77 ANPEP (0.32) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL3079555 0.74 LMNA (0.38) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL18379847 0.74 EIF4A3 (0.37) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL23531525 0.72 LMNA (0.32) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL18882795 0.72 GABRA1 (0.34) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL16594000 0.72 LMNA (0.32) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL15082631 0.72 LMNA (0.35) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL22371935 0.72 LMNA (0.32) GABRA1GABRG2GABRB3LMNASLC6A2
SCHEMBL15915015 0.72 LMNA (0.32) GABRA1GABRG2GABRB3LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-06-22 US 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-20170174653-A1 TLR7/8 ANTAGONISTS AND USES THEREOF TLR7, TLR8, TLR9 GABRA1 1652/4885GABRG2 1766/4885GABRB3 2065/4885

“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.