SCHEMBL19929645

SCHEMBL19929645

COc1ccc(OCc2cccc(-c3cccc(COc4ccc(C=O)cc4OC)c3C)c2C)c(OC)c1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.60
MAPT P10636 8/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
HTT P42858 2/20 0.60
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
FDPS P14324 1/20 0.52
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TTR P02766 1/20 0.46
HPGD P15428 4/20 0.46
POLB P06746 1/20 0.46
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
HSP90AA1 P07900 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL19923196 0.94 ALDH1A1 (0.67) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL19929652 0.88 ALDH1A1 (0.48) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL19929664 0.87 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL19929651 0.87 ALDH1A1 (0.50) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL19929641 0.87 ALDH1A1 (0.56) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL19929643 0.86 PIK3CD (0.49) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL19929642 0.86 ALDH1A1 (0.47) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL19929654 0.84 ALDH1A1 (0.45) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL19929671 0.84 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2HTTNPC1
SCHEMBL28689941 0.81 ALDH1A1 (0.57) ALDH1A1MAPTSMN1; SMN2HTTNPC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180065917-A1 IMMUNE CHECKPOINT INHIBITORS, COMPOSITIONS AND METHODS THEREOF POLARIS PHARMACEUTICALS, INC. (JP) 2018-03-08 US 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-20180065917-A1 IMMUNE CHECKPOINT INHIBITORS, COMPOSITIONS AND METHODS THEREOF CD274, PDCD1, PDCD1LG2 ALDH1A1 817/4885MAPT 49/4885SMN1; SMN2 769/4885

“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.