SCHEMBL4996154

SCHEMBL4996154

CCOC(OC)Oc1ccc(CC#N)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
PPARA Q07869 3/20 0.34
FLT3 P36888 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.32
THRB P10828 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GHSR Q92847 2/20 0.31

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
SCHEMBL9323737 0.75 LDHA (0.39) PPARAKMT2AL3MBTL1GAATHRB
SCHEMBL4821484 0.75 THRB (0.36) THRB
SCHEMBL4185405 0.75 APP (0.37) THRB
SCHEMBL19781563 0.74 POLB (0.50) PKMKMT2AGAANPC1RAB9A
SCHEMBL1235239 0.72 NQO1 (0.58) PKMGAA
SCHEMBL9145439 0.72 THRB (0.38) PPARAKMT2AL3MBTL1THRB
3-Methoxyphenylacetonitrile SCHEMBL103029 0.72 PKM (0.61) PKMFLT3KMT2AGAANPC1
SCHEMBL6573779 0.71 PKM (0.40) PKMFLT3KMT2AL3MBTL1GAA
SCHEMBL28035017 0.71 PKM (0.40) PKMFLT3KMT2AL3MBTL1GAA
Ethane SCHEMBL11166229 0.71 ACACB (0.40) PKMKMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371773-B2 Breast cancer resistance protein (BCRP) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2008-05-13 US disclosed
US-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor KABUSHIKI KAISHA YAKULT HONSHA (JP) 2006-06-15 US disclosed
EP-1591117-A1 BREAST CANCER RESISTANCE PROTEIN (BCRP) INHIBITOR Kabushiki Kaisha Yakult Honsha (JP) 2005-11-02 EP 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-20060128636-A1 Breast cancer resistance protein (bcrp) inhibitor ABCC1, OSBP, OSBPL3 PKM 4730/4885PPARA 4549/4885FLT3 2704/4885

“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.