SCHEMBL13868161

SCHEMBL13868161

CN(C)C/C=C\CCN(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
MAPT P10636 1/20 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
SCHEMBL6023369 1.00 ALDH1A1 (0.33) ALDH1A1TSHRTDP1CA12CA2
SCHEMBL6023371 1.00 ALDH1A1 (0.33) ALDH1A1TSHRTDP1CA12CA2
SCHEMBL317785 0.80 KDM4E (0.36)
SCHEMBL235759 0.80 KDM4E (0.36)
SCHEMBL13868109 0.78
Hydrochloric Acid SCHEMBL10694332 0.77 KDM4E (0.34)
Hydrochloric Acid SCHEMBL10694337 0.77 KDM4E (0.34)
Ammonia Solution, Strong SCHEMBL9748105 0.77 KDM4E (0.34)
SCHEMBL13868129 0.77 DNM1 (0.39) ALDH1A1TSHRTDP1CA12CA2
SCHEMBL5732790 0.77

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-8383583-B2 Macrocyclic, pyridazinone-containing hepatitis C serine protease inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2013-02-26 US disclosed
US-20090123425-A1 MACROCYCLIC, PYRIDAZINONE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS ENANTA PHARMACEUTICALS, INC. 2009-05-14 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-20090123425-A1 MACROCYCLIC, PYRIDAZINONE-CONTAINING HEPATITIS C SERINE PROTEASE INHIBITORS PRSS1, SPINT2, TMPRSS4 ALDH1A1 958/4885TSHR 4400/4885TDP1 3485/4885

“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.