SCHEMBL16474376

SCHEMBL16474376

CCn1cc(C(C)C)c(C(C)C)n1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
COMT P21964 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.30
RECQL P46063 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
SCHEMBL12299841 0.79 HTT (0.37) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL12299842 0.79 SMN1; SMN2 (0.44) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL16474372 0.79
SCHEMBL17045437 0.78 RECQL (0.36) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL13255976 0.78 RAB9A (0.35) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL23400503 0.78 HTT (0.36) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL19592225 0.78 L3MBTL1 (0.41) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL19805352 0.78 HTT (0.33) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL12507686 0.78 NPC1 (0.49) HTTSMN1; SMN2ALDH1A1KDM4ENPC1
SCHEMBL20086560 0.78 LMNA (0.34) HTTSMN1; SMN2ALDH1A1KDM4ENPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544161-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2020-01-28 US disclosed
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2019-05-16 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-20180064692-A1 Anti-Fibrotic Pyridinones GENENTECH, INC. 2018-03-08 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-9675593-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2017-06-13 US disclosed
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2017-05-04 US disclosed
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2016-09-15 US disclosed
US-9359379-B2 Anti-fibrotic pyridinones INTERMUNE, INC. (US) 2016-06-07 US disclosed
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES GENENTECH, INC. 2014-04-17 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 (6 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-20180064692-A1 Anti-Fibrotic Pyridinones MMP1, COL1A1, COL2A1 HTT 4516/4885SMN1; SMN2 1395/4885ALDH1A1 529/4885
US-10544161-B2 Anti-fibrotic pyridinones MMP1, COL1A1, COL2A1 HTT 4516/4885SMN1; SMN2 1395/4885ALDH1A1 529/4885
US-20140107110-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 HTT 4516/4885SMN1; SMN2 1395/4885ALDH1A1 529/4885
US-20160263090-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 HTT 4516/4885SMN1; SMN2 1395/4885ALDH1A1 529/4885
US-20170121345-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 HTT 4516/4885SMN1; SMN2 1395/4885ALDH1A1 529/4885
US-20190144467-A1 ANTI-FIBROTIC PYRIDINONES MMP1, COL1A1, COL2A1 HTT 4516/4885SMN1; SMN2 1395/4885ALDH1A1 529/4885

“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.