SCHEMBL19504384

SCHEMBL19504384

C=C1C2=C(C=CCC2)SCc2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
CDK8 P49336 1/20 0.32
CDK5 Q00535 1/20 0.32
ALDH1A1 P00352 1/20 0.31
CHRM2 P08172 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD2 P14416 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
CHRM3 P20309 1/20 0.31
SLC6A2 P23975 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
OPRK1 P41145 1/20 0.31

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
SCHEMBL6162523 0.83 ACHE (0.46) ACHEALDH1A1
SCHEMBL10025821 0.74 ALDH1A1 (0.34) ACHEALDH1A1CHRM2ADRA2ACYP2D6
SCHEMBL18873161 0.71 ALDH1A1 (0.49) ACHECDK8CDK5ALDH1A1CHRM2
SCHEMBL19504385 0.70 MAOA (0.42) CDK8CDK5ALDH1A1CHRM2ADRA2A
SCHEMBL4039247 0.67 CES1 (0.56) CDK8CDK5ALDH1A1CHRM2ADRA2A
SCHEMBL16865823 0.66 ACHE (0.56) ACHEALDH1A1CHRM2ADRA2ACYP2D6
SCHEMBL4668953 0.62 MAOA (0.56) CDK8CDK5ALDH1A1CHRM2ADRA2A
SCHEMBL22362502 0.62 CHRM2 (0.39) ACHECDK8CDK5ALDH1A1CHRM2
SCHEMBL8661153 0.62 SRD5A1 (0.42) ALDH1A1CHRM2ADRA2ACYP2D6CHRM1
SCHEMBL25924715 0.62 ACHE (0.32) ACHE

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-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2017-10-26 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-20170306233-A1 POLYMERIZABLE COMPOUND AND OPTICALLY ANISOTROPIC BODY SMC4, PHOSPHO1, SMCHD1 ACHE 3081/4885CDK8 3257/4885CDK5 2282/4885

“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.