SCHEMBL14701617

SCHEMBL14701617

CC(C)C(Oc1ccc(F)cc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
NFE2L2 Q16236 1/20 0.39
SLC6A4 P31645 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
TRPA1 O75762 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A3 P47895 1/20 0.34

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
SCHEMBL14704027 0.81 ALDH1A1 (0.47) ALDH1A1NFE2L2SLC6A4MEN1KMT2A
SCHEMBL14704047 0.81 ALDH1A1 (0.47) ALDH1A1NFE2L2SLC6A4MEN1KMT2A
SCHEMBL105035 0.80 ALDH1A3 (0.52) ALDH1A1NFE2L2MEN1KMT2ANPSR1
SCHEMBL22878908 0.80 ALDH1A1 (0.41) ALDH1A1NFE2L2SLC6A4MEN1KMT2A
SCHEMBL28771457 0.78 ALDH1A1 (0.48) ALDH1A1NFE2L2SLC6A4MEN1KMT2A
SCHEMBL29619678 0.78 ALDH1A1 (0.48) ALDH1A1NFE2L2SLC6A4MEN1KMT2A
SCHEMBL14701611 0.78 CA1 (0.55) ALDH1A1SLC6A4NPSR1LMNAMAPT
SCHEMBL14701614 0.78 ACHE (0.46) ALDH1A1SLC6A4MEN1KMT2ANPSR1
SCHEMBL29619680 0.78 ALDH1A1 (0.48) ALDH1A1NFE2L2SLC6A4MEN1KMT2A
SCHEMBL13240427 0.77 ALDH1A1 (0.44) ALDH1A1NFE2L2SLC6A4MEN1KMT2A

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-9284350-B2 IAP BIR domain binding compounds PHARMASCIENCE INC. (CA) 2016-03-15 US disclosed
US-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS PHARMASCIENCE INC. (CA) 2013-02-14 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-20130040892-A1 IAP BIR DOMAIN BINDING COMPOUNDS BIRC5, BIRC2, BIRC3 ALDH1A1 4122/4885NFE2L2 2588/4885SLC6A4 4679/4885

“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.