SCHEMBL10119367

SCHEMBL10119367

C/C(=N\OCCCCCC(C)C)C(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
RARB P10826 1/20 0.31
KDM4C Q9H3R0 2/20 0.31
KDM4A O75164 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 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
SCHEMBL10120816 0.92 ESR1 (0.36) ESR1ALDH1A1LMNA
SCHEMBL12231927 0.84 ESR1 (0.36) ESR1ALDH1A1LMNARARBKDM4C
SCHEMBL12438113 0.78 ESR1 (0.42) ESR1ALDH1A1LMNA
SCHEMBL12438194 0.75 ALDH1A1 (0.38) ESR1ALDH1A1LMNA
SCHEMBL18338079 0.71 ALDH1A1 (0.67) ALDH1A1LMNARARBKDM4CKDM4A
SCHEMBL30392038 0.71 ALDH1A1 (0.67) ALDH1A1LMNARARBKDM4CKDM4A
SCHEMBL9975249 0.71 SLC6A4 (0.32) LMNA
SCHEMBL22652960 0.70 ALDH1A1 (0.44) ALDH1A1
SCHEMBL16727770 0.70 ALDH1A1 (0.44) ALDH1A1
SCHEMBL11107935 0.69 ALDH1A1 (0.70) ALDH1A1LMNARARBKDM4CKDM4A

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-9127021-B2 Hepatitis C virus inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2015-09-08 US disclosed
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2012-02-16 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 US disclosed
US-20110250172-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-10-13 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-20110250172-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ESR1 2225/4885ALDH1A1 365/4885LMNA 2800/4885
US-20120039848-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 ESR1 2225/4885ALDH1A1 365/4885LMNA 2800/4885

“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.