SCHEMBL13699038

SCHEMBL13699038

CC(C)CCCc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
LMNA P02545 3/20 0.41

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
SCHEMBL14600317 0.89 ALDH1A1 (0.45) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL12243881 0.80 MEN1 (0.49) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL9319296 0.79 MAPT (0.54) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL10483978 0.79 GAA (0.47) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL5040770 0.79 SLC6A2 (0.47) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL13699060 0.79 CPB2 (0.46) ALDH1A1L3MBTL1KDM4EMAPTLMNA
SCHEMBL594105 0.78 RAB9A (0.51) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL26082876 0.78 ALDH1A1 (0.40) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL8245704 0.77 ALDH1A1 (0.47) ALDH1A1L3MBTL1KDM4EGAAMAPT
SCHEMBL21469023 0.76 MAPT (0.54) ALDH1A1L3MBTL1KDM4EGAAMAPT

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-7589067-B2 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICALS, INC. (US) 2009-09-15 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ENANTA PHARMACEUTICALS, INC. 2008-02-14 US disclosed
US-20070082853-A1 6, 11-bridged tricyclic macrolides ENANTA PHARMACEUTICAL, INC. 2007-04-12 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-20070082853-A1 6, 11-bridged tricyclic macrolides CYP2B6, CYP2D6, ABCB11 ALDH1A1 1193/4885L3MBTL1 2779/4885KDM4E 1806/4885
US-20080039406-A1 3,6-BRIDGED TYLOSIN DERIVATIVES ABCB11, ABCB1, CYP2B6 ALDH1A1 1995/4885L3MBTL1 2288/4885KDM4E 1869/4885

“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.