SCHEMBL13100711

SCHEMBL13100711

CC1CC2CCC(c3ccc(C#N)cc3)CCC2C1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.46
KCNH2 Q12809 1/20 0.46
GRIA1 P42261 1/20 0.43
GRIA2 P42262 1/20 0.43
GRIA3 P42263 1/20 0.43
ESR2 Q92731 1/20 0.42
ALDH1A1 P00352 3/20 0.39
HSD11B1 P28845 1/20 0.38
CYP19A1 P11511 2/20 0.37
EGLN2 Q96KS0 1/20 0.37
CYP2A6 P11509 1/20 0.36
USP30 Q70CQ3 3/20 0.35

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
SCHEMBL10909714 0.88 ESR2 (0.52) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL10766113 0.88 ESR2 (0.52) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL20083485 0.85 ESR2 (0.57) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL30150 0.85 ESR2 (0.57) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL16488063 0.85 ESR2 (0.57) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL13621591 0.85 GRIA1 (0.46) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL14649679 0.83 HRH3 (0.50) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL5958188 0.83 GRIA1 (0.49) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL14649680 0.81 HRH3 (0.54) HRH3KCNH2GRIA1GRIA2GRIA3
SCHEMBL11524401 0.81 HRH3 (0.54) HRH3KCNH2GRIA1GRIA2GRIA3

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-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES TETRAGON-CHEMIE AG (LI) 2010-10-21 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-20100264368-A1 LIQUID CRYSTAL MOLECULES COMPRISING HYDROAZULENE STRUCTURES FLI1, F12, GTF2I HRH3 184/4885KCNH2 296/4885GRIA1 3336/4885

“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.