SCHEMBL17138104

SCHEMBL17138104

[CH2]CCCC1CCCCC1CC.[CH2]CCCCCCCCCCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA4 P43681 1/20 0.40
CYP1A2 P05177 1/20 0.36
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA4 P22748 1/20 0.34
EPHX1 P07099 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
ALOX5 P09917 1/20 0.33
NAAA Q02083 3/20 0.32
ALDH1A1 P00352 1/20 0.31
DPP4 P27487 1/20 0.31
NOS1 P29475 1/20 0.30
NOS2 P35228 1/20 0.30
GNAI3 P08754 1/20 0.30
GNAO1 P09471 1/20 0.30
GNAI1 P63096 1/20 0.30

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
SCHEMBL14795390 0.91 CYP1A2 (0.42) CHRNB2CHRNA7CHRNA4CYP1A2CA1
SCHEMBL14895353 0.89 CHRNB2 (0.36) CHRNB2CHRNA7CHRNA4CYP1A2CA1
SCHEMBL29686646 0.86 CHRNB2 (0.49) CHRNB2CHRNA7CHRNA4CYP1A2CA1
SCHEMBL9253450 0.84 CA1 (0.30) CHRNB2CHRNA7CHRNA4CA1CA2
SCHEMBL9232926 0.84 CHRNB2 (0.46) CHRNB2CHRNA7CHRNA4CYP1A2CA1
SCHEMBL10424059 0.83 CHRNB2 (0.34) CHRNB2CHRNA7CHRNA4EPHX1SIGMAR1
SCHEMBL28683282 0.82 CHRNB2 (0.45) CHRNB2CHRNA7CHRNA4CYP1A2CA1
SCHEMBL8675580 0.82 CYP1A2 (0.52) CHRNB2CHRNA7CHRNA4CYP1A2CA1
SCHEMBL29904850 0.80 EPHX1 (0.48) CHRNB2CHRNA7CHRNA4CYP1A2CA1
SCHEMBL29455101 0.80 EPHX1 (0.48) CHRNB2CHRNA7CHRNA4CYP1A2CA1

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-20150284504-A1 HETEROCYCLIC COMPOUNDS AND THE SYNTHESIS METHOD THEREOF NATIONAL CHIAO TUNG UNIVERSITY (TW) 2015-10-08 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-20150284504-A1 HETEROCYCLIC COMPOUNDS AND THE SYNTHESIS METHOD THEREOF DHPS, COASY, CDK18 CHRNB2 4307/4885CHRNA7 4601/4885CHRNA4 4467/4885

“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.