SCHEMBL20539857

SCHEMBL20539857

CCOC(COc1ccc(-c2cccc(-c3cccc(-c4ccc(OCC(OCC)OCC)cc4)c3C)c2C)cc1)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 5/20 0.38
CD274 Q9NZQ7 5/20 0.38
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA7 P36544 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 2/20 0.34
PTPN1 P18031 1/20 0.34
NQO1 P15559 1/20 0.34
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GRM2 Q14416 2/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL20539635 0.89 PTPN1 (0.34) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL20540087 0.89 S1PR1 (0.40) PDCD1CD274NPC1RAB9ASMN1; SMN2
SCHEMBL32930869 0.86 SMN1; SMN2 (0.47) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL20540434 0.82 S1PR1 (0.43)
SCHEMBL16519363 0.82 NQO1 (0.46) NPC1RAB9AKDM4ENQO1MAPT
SCHEMBL20539355 0.81 ADRB2 (0.41) PDCD1CD274RAB9ASMN1; SMN2TP53
SCHEMBL20540082 0.80 DGAT1 (0.34) NPC1RAB9ASMN1; SMN2TP53GAA
SCHEMBL20540226 0.79 PTPN1 (0.32) NPC1RAB9ASMN1; SMN2CHRNB4CHRNA3
SCHEMBL1602489 0.79 RAB9A (0.47) NPC1RAB9ASMN1; SMN2CHRNB4CHRNA3
SCHEMBL20539372 0.79 PPARD (0.35)

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
EP-4026835-A2 PD-1/PD-L1 INHIBITORS Gilead Sciences, Inc. (US) 2022-07-13 EP disclosed
US-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 US disclosed
US-20180305315-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. 2018-10-25 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 (2 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885NPC1 1887/4885
US-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 PDCD1 2/4885CD274 1/4885NPC1 1887/4885

“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.