SCHEMBL23501934

SCHEMBL23501934

CCC1C(=O)Nc2cc(C)cc(C)c21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.38
CRBN Q96SW2 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
PBRM1 Q86U86 1/20 0.35
MAPT P10636 3/20 0.34
GAA P10253 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
POLB P06746 2/20 0.34
GAPDH P04406 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.34
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL8874084 0.81 MAPT (0.42) MAPTGAAMEN1KMT2APOLB
SCHEMBL15730552 0.78 CA12 (0.40) PGRCRBNCA12CA1CA2
SCHEMBL23835758 0.76 PGR (0.43) PGRPBRM1MAPTGAAPOLB
SCHEMBL18853859 0.74 CRBN (0.36) CRBNCA12CA1CA2CA4
SCHEMBL18852433 0.74 CRBN (0.37) CRBNCA12CA1CA2CA4
SCHEMBL17066904 0.72 ALDH1A1 (0.51) PGRCRBNCA12CA1CA2
SCHEMBL18854050 0.72 PGR (0.50) PGRMAPTGAAPOLBL3MBTL1
SCHEMBL2988866 0.69 PGR (0.57) PGRMAPTGAAPOLBL3MBTL1
SCHEMBL24019919 0.69 PGR (0.57) PGRMAPTGAAPOLBL3MBTL1
SCHEMBL4968992 0.69 MEN1 (0.41) GAAMEN1KMT2ATP53USP2

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 1804/4885CRBN 3933/4885CA12 3399/4885
US-20230012449-A1 COMPOUNDS FOR THE TREATMENT OF HIV CCR5, NPC1, FURIN PGR 1804/4885CRBN 3933/4885CA12 3399/4885

“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.