SCHEMBL4990071

SCHEMBL4990071

COCCOCOc1cc[c]cc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RARG P13631 1/20 0.33
F2 P00734 1/20 0.32
ELANE P08246 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL21268193 0.87 L3MBTL1 (0.39) TDP1L3MBTL1
SCHEMBL8131750 0.85 F2 (0.34) RARGF2ELANE
SCHEMBL28367075 0.85 TDP1 (0.33) TDP1L3MBTL1
SCHEMBL8405940 0.82 L3MBTL1 (0.34) TDP1L3MBTL1
SCHEMBL5369031 0.81 F2 (0.38) RARGF2ELANETDP1L3MBTL1
SCHEMBL4757081 0.76 L3MBTL1 (0.36) TDP1L3MBTL1
SCHEMBL162033 0.75 L3MBTL1 (0.40) TDP1L3MBTL1
SCHEMBL3159666 0.74 CTNNB1 (0.39) F2ELANE
SCHEMBL161774 0.74 L3MBTL1 (0.46) TDP1L3MBTL1
SCHEMBL4990062 0.74

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 RARG 3208/4885F2 4838/4885ELANE 4689/4885

“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.