SCHEMBL23501955

SCHEMBL23501955

CCC1C(=O)Nc2c(C)ccc(C)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA4 P22748 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CES1 P23141 1/20 0.33
HSD11B1 P28845 1/20 0.32
CREBBP Q92793 2/20 0.32
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
DAO P14920 1/20 0.31
BRD4 O60885 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
SCHEMBL15730347 0.76 CA12 (0.36) CA12CA1CA2CA4CA7
SCHEMBL17066928 0.75 MEN1 (0.44) PGRCES1HSD11B1CREBBPTDP1
SCHEMBL2987129 0.75 ALDH1A1 (0.44) PGRCA12CA1CA2CA4
SCHEMBL23835758 0.75 PGR (0.43) PGRHSD11B1CREBBPMAPTKDM4E
SCHEMBL16006747 0.73 CA12 (0.34) CA12CA1CA2CA4CA7
SCHEMBL17066904 0.68 ALDH1A1 (0.51) PGRCA12CA1CA2CA4
SCHEMBL23501934 0.68 PGR (0.38) PGRCA12CA1CA2CA4
SCHEMBL8555634 0.68 BRD4 (0.36) CREBBPBRD4
SCHEMBL24112630 0.67 CES1 (0.47) PGRCA12CA1CA2CA4
SCHEMBL24112227 0.67 CES1 (0.36) CA12CA1CA2CA4CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV GILEAD SCIENCES, INC. 2023-01-12 US disclosed
US-11034668-B2 Compounds for the treatment of HIV GILEAD SCIENCES, INC. (US) 2021-06-15 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-11034668-B2 Compounds for the treatment of HIV CCR5, NPC1, FURIN PGR 1804/4885CA12 3399/4885CA1 4199/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PGR 1804/4885CA12 3399/4885CA1 4199/4885

“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.