SCHEMBL19929643

SCHEMBL19929643

COc1ccc(OCc2cccc(-c3cccc(COc4ccc(C=O)cc4Cl)c3C)c2C)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.49
CD274 Q9NZQ7 10/20 0.48
MRGPRX4 Q96LA9 2/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.46
CYP1A2 P05177 2/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
PDCD1 Q15116 1/20 0.42
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL19923214 0.92 CD274 (0.54) CD274MRGPRX4ALDH1A1MAPTCYP1A2
SCHEMBL19929652 0.86 ALDH1A1 (0.48) PIK3CDCD274ALDH1A1MAPTCYP1A2
SCHEMBL19929645 0.86 ALDH1A1 (0.60) ALDH1A1MAPTCYP1A2NPC1RAB9A
SCHEMBL19929641 0.85 ALDH1A1 (0.56) CD274ALDH1A1MAPTCYP1A2NPC1
SCHEMBL19929651 0.85 ALDH1A1 (0.50) CD274ALDH1A1MAPTCYP1A2NPC1
SCHEMBL19929664 0.85 ALDH1A1 (0.47) CD274ALDH1A1MAPTCYP1A2NPC1
SCHEMBL19929654 0.85 ALDH1A1 (0.45) PIK3CDCD274ALDH1A1MAPTCYP1A2
SCHEMBL16554820 0.84 CD274 (0.66) CD274PDCD1
SCHEMBL18728634 0.83 CD274 (0.46) CD274MRGPRX4ALDH1A1MAPTCYP1A2
SCHEMBL19923196 0.82 ALDH1A1 (0.67) ALDH1A1MAPTCYP1A2NPC1RAB9A

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 PIK3CD 2793/4885CD274 1/4885MRGPRX4 1289/4885

“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.