SCHEMBL4990046

SCHEMBL4990046

COC(C)OCOc1ccc(C=O)cc1OCOC(C)OC

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.54
ALDH1A1 P00352 13/20 0.49
TSHR P16473 1/20 0.49
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
LMNA P02545 1/20 0.48
TACR2 P21452 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HPGD P15428 4/20 0.42
POLB P06746 1/20 0.42
TDP1 Q9NUW8 2/20 0.41
AOX1 Q06278 1/20 0.41
TRIM24 O15164 1/20 0.41
ALDH5A1 P51649 1/20 0.41
ABAT P80404 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41

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
SCHEMBL4996817 0.94 ALDH1A1 (0.54) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL4996435 0.94 FDPS (0.63) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL31160627 0.80 FDPS (0.64) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL4255761 0.80 FDPS (0.64) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL4991354 0.80 ALDH1A3 (0.49) ALDH1A1MAPTSMN1; SMN2LMNARAB9A
SCHEMBL8394244 0.78 RARA (0.38) FDPSALDH1A1TSHRHPGDTDP1
SCHEMBL5888281 0.78 RARA (0.44) FDPSALDH1A1TSHRLMNATDP1
SCHEMBL5001874 0.78 NPC1 (0.52) ALDH1A1SMN1; SMN2NPC1RAB9APOLB
SCHEMBL2679839 0.75 ALDH1A1 (0.62) FDPSALDH1A1TSHRMAPTSMN1; SMN2
SCHEMBL2850023 0.74 FDPS (0.75) 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 5 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
US-5710147-A ANTIBIOTICS ROUSSEL UCLAF (FR) 1998-01-20 US disclosed
EP-0693496-A1 Novel cephalosporins having a substituted benzyloxyimino radical in position 7, process for their preparation and their use as medicaments ROUSSEL UCLAF (FR) 1996-01-24 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.