SCHEMBL4990024

SCHEMBL4990024

CCOC(OC)Oc1ccc(C=O)cc1OC(OC)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 12/20 0.49
TSHR P16473 1/20 0.49
FDPS P14324 1/20 0.46
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 3/20 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
TACR2 P21452 1/20 0.41
TTR P02766 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 2/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.37

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
SCHEMBL4996438 0.94 ALDH1A1 (0.58) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL4996824 0.93 ALDH1A1 (0.52) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL10516619 0.81 ALDH1A1 (0.47) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL27943222 0.81 ALDH1A1 (0.70) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL4991362 0.80 ALDH1A3 (0.53) ALDH1A1HPGDSMN1; SMN2MAPTLMNA
SCHEMBL11022078 0.79 ALDH1A1 (0.41) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL5888282 0.78 HDAC11 (0.41) ALDH1A1TSHRFDPSTDP1LMNA
SCHEMBL8394248 0.78 HDAC11 (0.37) ALDH1A1TSHRFDPSHPGDTDP1
SCHEMBL5001876 0.78 NPC1 (0.46) ALDH1A1HPGDTDP1TTRSMN1; SMN2
SCHEMBL22572791 0.75 ALDH1A1 (0.55) ALDH1A1TSHRFDPSHPGDTDP1

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 ALDH1A1 1336/4885TSHR 3145/4885FDPS 993/4885

“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.