SCHEMBL4990709

SCHEMBL4990709

COC(C)OCOc1c(C)cc(C=O)cc1C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.41
FDPS P14324 1/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPK1 P28482 2/20 0.31
MEN1 O00255 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
ALOX12 P18054 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
SCN4A P35499 2/20 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
SCHEMBL5990576 0.83 MCL1 (0.32) FDPSALDH1A1MAPK1
SCHEMBL146679 0.80 SRC (0.49) SRCFDPSALDH1A1MAPK1MEN1
SCHEMBL4991354 0.74 ALDH1A3 (0.49) ALDH1A1MEN1MAPTHPGDKMT2A
SCHEMBL4990046 0.74 FDPS (0.54) FDPSALDH1A1POLBMAPTHPGD
SCHEMBL5351709 0.74 SRC (0.53) SRCFDPSALDH1A1MAPK1MEN1
SCHEMBL4990719 0.73 SRC (0.46) SRCFDPSALDH1A1MAPK1MEN1
SCHEMBL5001874 0.73 NPC1 (0.52) SRCALDH1A1POLBTDP1
SCHEMBL2010378 0.72 SRC (0.52) SRCALDH1A1MAPTHPGDKMT2A
SCHEMBL4996435 0.72 FDPS (0.63) FDPSALDH1A1MEN1POLBMAPT
SCHEMBL347037 0.71 SRC (0.51) SRCFDPSALDH1A1MAPK1MEN1

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 SRC 40/4885FDPS 993/4885ALDH1A1 1336/4885

“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.