SCHEMBL19090384

SCHEMBL19090384

CCc1ccc(CCCCCCCCc2ccccc2)o1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.47
G6PC1 P35575 1/20 0.45
KCNH2 Q12809 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
MAOA P21397 1/20 0.44
MAPT P10636 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
CHRM2 P08172 1/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL1847306 0.86 G6PC1 (0.49) G6PC1KCNH2MAOACHRM2HTR1A
SCHEMBL18067898 0.80 EPHX2 (0.53) KCNH2MAPTCHRM2ADRA2ACHRM1
SCHEMBL20877601 0.80 EPHX2 (0.53) KCNH2MAPTCHRM2ADRA2ACHRM1
SCHEMBL7035982 0.78 EPHX2 (0.48) SIGMAR1KCNH2L3MBTL1MAPT
SCHEMBL19248486 0.77 EPHX2 (0.40) MAOA
SCHEMBL19248487 0.77 EPHX2 (0.40) MAOA
SCHEMBL27968343 0.76 TP53 (0.48) G6PC1MAPT
SCHEMBL13274043 0.76 ALOX5 (0.44) MAPTCHRM2CHRM1
SCHEMBL19248484 0.75 MAOA (0.39) MAOA
SCHEMBL676854 0.74 SIGMAR1 (0.71) SIGMAR1L3MBTL1MAOAMAPTRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase VANDERBILT UNIVERSITY (US) 2019-06-25 US disclosed
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase VANDERBILT UNIVERSITY 2017-07-06 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 (2 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-10329304-B2 Compounds and methods for inhibition of hedgehog signaling and phosphodiesterase PDE4A, PDE4B, PDE7A SIGMAR1 4359/4885G6PC1 1214/4885KCNH2 3213/4885
US-20170190717-A1 Compounds and Methods for Inhibition of Hedgehog Signaling and Phosphodiesterase PDE4A, PDE4B, PDE7A SIGMAR1 4359/4885G6PC1 1214/4885KCNH2 3213/4885

“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.