SCHEMBL20539355

SCHEMBL20539355

CCOC(COc1ccccc1-c1cccc(-c2cccc(-c3ccccc3)c2C)c1C)OCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 6/20 0.41
ADRB1 P08588 2/20 0.41
PDCD1 Q15116 4/20 0.40
CD274 Q9NZQ7 4/20 0.40
HTR7 P34969 1/20 0.39
PTGER1 P34995 1/20 0.39
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 4/20 0.36
PKM P14618 1/20 0.36
PTPRC P08575 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL20539857 0.81 PDCD1 (0.38) PDCD1CD274MAPK1TP53RAB9A
SCHEMBL28360304 0.80 CYP2D6 (0.36) ADRB2ADRB1PDCD1CD274TDP1
SCHEMBL29997360 0.74 PDCD1 (0.50) ADRB2PDCD1CD274HTR7MAPK1
SCHEMBL4551683 0.74 KDM4E (0.54) ADRB2ADRB1TDP1LMNAKDM4E
SCHEMBL13984211 0.73 ALOX15 (0.53) RAB9ATDP1L3MBTL1LMNAKDM4E
SCHEMBL14364260 0.72 MCHR1 (0.45) ADRB2ADRB1PDCD1CD274HTR7
SCHEMBL20540087 0.71 S1PR1 (0.40) PDCD1CD274MAPK1TP53RAB9A
SCHEMBL20539635 0.71 PTPN1 (0.34) PDCD1CD274MAPK1TP53RAB9A
SCHEMBL32930869 0.71 SMN1; SMN2 (0.47) MAPK1TP53RAB9ALMNAKDM4E
SCHEMBL1919969 0.71 LMNA (0.54) TDP1L3MBTL1LMNAKDM4EALDH1A1

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-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 (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-20180305315-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 ADRB2 3161/4885ADRB1 2106/4885PDCD1 2/4885

“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.