SCHEMBL10175737

SCHEMBL10175737

CC(C)c1cc(OCCC(C)(C)C)ncn1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32
MCHR1 Q99705 1/20 0.31
ELOVL1 Q9BW60 1/20 0.31
LNPEP Q9UIQ6 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
SCHEMBL15999355 0.79 ACACB (0.33) ALOX5APFEN1ELOVL1
SCHEMBL15305335 0.77 ACACB (0.37) ALOX5APFEN1
SCHEMBL799179 0.76 CYP2C19 (0.40) ALOX5APFEN1
SCHEMBL10187279 0.76 MCHR1 (0.41) ALOX5APFEN1MCHR1ELOVL1
SCHEMBL5386945 0.76 HDAC1 (0.34) MCHR1ELOVL1
SCHEMBL5385228 0.71 CHRM2 (0.30)
SCHEMBL24910309 0.70 PDE2A (0.34) ALOX5APFEN1
SCHEMBL786348 0.69 NOS3 (0.36)
SCHEMBL23791580 0.67 CYP2C19 (0.31)
SCHEMBL12141876 0.66 GABRA1 (0.41)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9067928-B2 Compounds and methods of use ABBVIE INC. (US) 2015-06-30 US disclosed
US-8518970-B2 Compounds and methods of use ABBVIE INC. (US) 2013-08-27 US disclosed
US-8232273-B2 Heterocyclic compounds and methods of use GENENTECH, INC. (US) 2012-07-31 US disclosed
US-20120184541-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2012-07-19 US disclosed
US-8114893-B2 Compounds and methods of use GENENTECH, INC. (US) 2012-02-14 US disclosed
US-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-08-19 US disclosed
US-20100190782-A1 COMPOUNDS AND METHODS OF USE ABBVIE INC. 2010-07-29 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 (3 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-20100210622-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE BCL2A1, BAX, BCL2 ALOX5AP 2300/4885FEN1 4374/4885MCHR1 3512/4885
US-20100190782-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX ALOX5AP 1587/4885FEN1 3968/4885MCHR1 4091/4885
US-20120184541-A1 COMPOUNDS AND METHODS OF USE BCL2A1, BCL2, BAX ALOX5AP 1587/4885FEN1 3968/4885MCHR1 4091/4885

“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.