SCHEMBL19929641

SCHEMBL19929641

COc1ccc(OCc2cccc(-c3cccc(COc4ccc(C=O)cc4F)c3C)c2C)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
MAPT P10636 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
HTT P42858 1/20 0.47
CD274 Q9NZQ7 5/20 0.44
THRB P10828 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
FFAR1 O14842 3/20 0.42
PPARD Q03181 2/20 0.42
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 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
SCHEMBL19923180 0.92 ALDH1A1 (0.57) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL19929645 0.87 ALDH1A1 (0.60) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL19929652 0.87 ALDH1A1 (0.48) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL19929664 0.86 ALDH1A1 (0.47) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL19929651 0.86 ALDH1A1 (0.50) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL19929643 0.85 PIK3CD (0.49) ALDH1A1HPGDMAPTSMN1; SMN2NPC1
SCHEMBL19929671 0.85 ALDH1A1 (0.44) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL28679947 0.84 CD274 (0.60) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL19929654 0.84 ALDH1A1 (0.45) ALDH1A1MEN1KMT2APOLBHPGD
SCHEMBL19923196 0.83 ALDH1A1 (0.67) ALDH1A1MEN1KMT2APOLBHPGD

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 817/4885MEN1 125/4885KMT2A 2090/4885

“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.