SCHEMBL14701611

SCHEMBL14701611

COc1ccc(OC(C(C)C)C(C)C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
CA7 P43166 2/20 0.55
CA9 Q16790 2/20 0.55
CA12 O43570 1/20 0.55
CA14 Q9ULX7 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.48
TAS1R1 Q7RTX1 1/20 0.48
TAS1R2 Q8TE23 1/20 0.48
ACHE P22303 1/20 0.46
TDP1 Q9NUW8 3/20 0.44
MAPK1 P28482 2/20 0.44
SLC6A4 P31645 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL28747243 0.80 MAPK1 (0.71) CA1CA2CA7CA9CA12
SCHEMBL14701614 0.80 ACHE (0.46) CA1CA2CA9ACHETDP1
SCHEMBL178454 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL5512005 0.79 CA1 (0.61) CA1CA2CA7CA9CA12
SCHEMBL14701617 0.78 ALDH1A1 (0.47) ACHESLC6A4ALDH1A1MAPTNPSR1
SCHEMBL11156032 0.77 CA4 (0.43) SLC6A4ALDH1A1MTNR1AMTNR1BKDM4E
SCHEMBL17789963 0.76 CA1 (0.50) CA1CA2CA7CA9CA12
SCHEMBL1345318 0.75 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL28835255 0.75 CA1 (0.55) CA1CA2CA7CA9CA12
SCHEMBL11384408 0.75 CA1 (0.55) CA1CA2CA7CA9CA12

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 CA1 3367/4885CA2 3311/4885CA7 2941/4885

“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.