SCHEMBL4996435

SCHEMBL4996435

COc1cc(C=O)ccc1OCOC(C)OC

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.63
ALDH1A1 P00352 12/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 7/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HPGD P15428 4/20 0.49
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL4990046 0.94 FDPS (0.54) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL4996817 0.89 ALDH1A1 (0.54) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL10488887 0.82 ALDH1A1 (0.70) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL31054299 0.82 FDPS (0.75) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL2850023 0.82 FDPS (0.75) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL30262368 0.79 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL7034558 0.79 FDPS (0.71) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL5973815 0.78 FDPS (1.00) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL2040077 0.78 FDPS (0.69) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL17955001 0.78 FDPS (0.69) FDPSALDH1A1TSHRMAPTSMN1; SMN2

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-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
EP-0399569-B1 Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO CORP (JP) 1994-08-24 EP disclosed
EP-0399569-A1 Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1990-11-28 EP disclosed
US-4673684-A Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO CORPORATION (JP) 1987-06-16 US disclosed
EP-0157420-A2 Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-10-09 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 FDPS 993/4885ALDH1A1 1336/4885TSHR 3145/4885

“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.