SCHEMBL4174626

SCHEMBL4174626

CC1(C)C2CCC(C2)C1(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.60
CHRNB4 P30926 4/20 0.60
CHRNA3 P32297 4/20 0.60
CHRNA7 P36544 4/20 0.60
CHRNA4 P43681 4/20 0.60
CHRNA1 P02708 3/20 0.60
CHRNG P07510 3/20 0.60
CHRNB1 P11230 3/20 0.60
CHRND Q07001 3/20 0.60
LMNA P02545 1/20 0.60
CYP3A4 P08684 1/20 0.60
PKM P14618 1/20 0.60
NFKB1 P19838 1/20 0.60
CYP2C19 P33261 1/20 0.60
THPO P40225 1/20 0.60
CHRNE Q04844 1/20 0.60
CHRNA2 Q15822 1/20 0.60
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL3669819 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2993098 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL11842095 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24587042 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL2469093 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL24586110 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7436337 0.78 CHRNB2 (0.48) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL15003323 0.77
SCHEMBL24200566 0.77
Mecamylamine SCHEMBL7208020 0.76 CHRNB2 (1.00) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4

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-20090004508-A1 Thin-film materials, thin films and producing method thereof DAICEL CHEMICAL INDUSTRIES, LTD. 2009-01-01 US disclosed
EP-2003123-A2 Thin-film materials, thin films and producing method thereof Daicel Chemical Industries, Ltd. (JP) 2008-12-17 EP disclosed
US-20070078256-A1 Prepolymers, prepolymer compositions, high-molecular-weight polymers with pore structure, and dielectric films DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2007-04-05 US disclosed
EP-1683822-A1 PREPOLYMER, PREPOLYMER COMPOSITION, HIGH MOLECULAR WEIGHT POLYMER HAVING STRUCTURE CONTAINING HOLE AND ELECTRICALLY INSULATING FILM Daicel Chemical Industries, Ltd. (JP) 2006-07-26 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-20090004508-A1 Thin-film materials, thin films and producing method thereof RASSF2, NRAS, RASSF5 CHRNB2 2649/4885CHRNB4 2515/4885CHRNA3 1795/4885

“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.