SCHEMBL13630375

SCHEMBL13630375

CC(C)CCC[C@@H](C)[C@H]1CCC2[C@H](CC=O)[C@@H]([C@@]3(C)CCC=CC3=O)CC[C@@]21C

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 8/20 0.78
GABRA1 P14867 1/20 0.62
GABRB1 P18505 1/20 0.62
GABRG2 P18507 1/20 0.62
GABRB3 P28472 1/20 0.62
GABRA5 P31644 1/20 0.62
GABRA3 P34903 1/20 0.62
GABRA2 P47869 1/20 0.62
GABRA4 P48169 1/20 0.62
USP2 O75604 2/20 0.49
RORA P35398 1/20 0.49
NPC1L1 Q9UHC9 1/20 0.49
MEN1 O00255 1/20 0.49
ALOX15 P16050 1/20 0.49
KMT2A Q03164 1/20 0.49
CDC25B P30305 1/20 0.48
SRD5A1 P18405 7/20 0.47
SRD5A2 P31213 3/20 0.47

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
SCHEMBL3134063 1.00 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3134072 1.00 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13521601 1.00 CDC25A (0.78) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3138543 0.80 NPC1L1 (0.61) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL3138537 0.80 NPC1L1 (0.61) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL30650227 0.80 NPC1L1 (0.61) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13521611 0.80 NPC1L1 (0.61) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13629834 0.79 CDC25A (0.57) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL13521632 0.79 CDC25A (0.57) CDC25AGABRA1GABRB1GABRG2GABRB3
SCHEMBL24425755 0.77 GABRA1 (1.00) CDC25AGABRA1GABRB1GABRG2GABRB3

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-20140199232-A1 Targeted Therapeutic Nanoparticles NANODERM SCIENCES, INC. (US) 2014-07-17 US disclosed
US-20090275064-A1 Methods to identify therapeutic agents THE SCRIPPS RESEARCH INSTITUTE (US) 2009-11-05 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-20140199232-A1 Targeted Therapeutic Nanoparticles CD44, PHOSPHO1, CD47 CDC25A 2486/4885GABRA1 1582/4885GABRB1 1403/4885
US-20090275064-A1 Methods to identify therapeutic agents MSR1, SCARB1, LDLR CDC25A 3921/4885GABRA1 2267/4885GABRB1 2878/4885

“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.