SCHEMBL23213552

SCHEMBL23213552

CC(C)C(C(=O)O)n1ccc(C2CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MGLL Q99685 2/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PPARA Q07869 2/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CCR5 P51681 2/20 0.32
KCNT1 Q5JUK3 1/20 0.31
RET P07949 1/20 0.31
CAPN1 P07384 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL29845226 0.87 NPC1 (0.35) RAB9ANPC1SMN1; SMN2MGLLKMT2A
SCHEMBL29760265 0.84 NPC1 (0.38) RAB9ANPC1SMN1; SMN2MGLLKMT2A
SCHEMBL21462908 0.84 NPC1 (0.38) RAB9ANPC1SMN1; SMN2MGLLKMT2A
SCHEMBL23163078 0.84 NPC1 (0.38) RAB9ANPC1SMN1; SMN2MGLLKMT2A
SCHEMBL30730269 0.79 KDM4E (0.35) RAB9ANPC1SMN1; SMN2MGLLKDM4E
SCHEMBL21471127 0.77 NPC1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL20350237 0.77 NPC1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL21471128 0.77 NPC1 (0.41) RAB9ANPC1SMN1; SMN2ALDH1A1L3MBTL1
SCHEMBL26683935 0.76 CYP19A1 (0.43) RAB9AKMT2AKDM4ECCR5
SCHEMBL26683940 0.76 CYP19A1 (0.43) RAB9AKMT2AKDM4ECCR5

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4041729-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-27 EP disclosed
US-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-11-24 US disclosed
EP-4041729-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-17 EP disclosed
WO-2021070054-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-15 WO 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-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H RAB9A 1878/4885NPC1 376/4885SMN1; SMN2 2727/4885

“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.