SCHEMBL23948695

SCHEMBL23948695

CC(C)c1cccc(-c2cccc(C(C)C)n2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
PTPN5 P54829 2/20 0.38
ADORA2A P29274 1/20 0.38
MEN1 O00255 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MDM4 O15151 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
TYR P14679 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL3626772 0.89 CTSS (0.50) CTSSCTSKRXRARXRBRXRG
SCHEMBL12269982 0.82 CCR1 (0.52) CTSSCTSKRXRARXRBRXRG
SCHEMBL2609332 0.81 KMT2A (0.60) ADORA2AMEN1RAB9AKMT2AKDM4E
SCHEMBL2609328 0.81 CNR2 (0.44) TP53MAPT
SCHEMBL15981037 0.81 MAP4K4 (0.47) MEN1KMT2AKDM4EMAPT
SCHEMBL20710589 0.78 CNR1 (0.46) CTSSCTSKRXRARXRBRXRG
SCHEMBL15981035 0.78 DYRK1A (0.47) ADORA2ARAB9AKDM4EALDH1A1TP53
SCHEMBL12922238 0.78 CCR1 (0.46) MEN1RAB9AKMT2AKDM4ECA1
SCHEMBL2609336 0.77 NPC1 (0.45) CTSKCA9TGFBR1IRAK4
SCHEMBL20710587 0.77 XDH (0.49) CTSSCTSKADORA2A

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-20210323922-A1 PD-1/PD-L1 INHIBITORS GILEAD SCIENCES, INC. (US) 2021-10-21 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-20210323922-A1 PD-1/PD-L1 INHIBITORS CD274, PDCD1, PDCD1LG2 CTSS 2971/4885CTSK 2175/4885RXRA 469/4885

“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.