SCHEMBL3175294

SCHEMBL3175294

C[C@H](CI)[C@H]1CC[C@H]2[C@@H](O[Si](C)(C)C(C)(C)C)CCC[C@@]12C

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.45
CDC25B P30305 2/20 0.45
PPM1D O15297 2/20 0.32
GPBAR1 Q8TDU6 4/20 0.32
AKR1B10 O60218 1/20 0.31
AKR1B1 P15121 1/20 0.31
EFNA1 P20827 1/20 0.31
EPHA2 P29317 1/20 0.31
PSEN1 P49768 1/20 0.31
PSEN2 P49810 1/20 0.31
APH1B Q8WW43 1/20 0.31
NCSTN Q92542 1/20 0.31
APH1A Q96BI3 1/20 0.31
PSENEN Q9NZ42 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL3175287 1.00 CDC25A (0.45) CDC25ACDC25BPPM1DGPBAR1AKR1B10
SCHEMBL3175300 1.00 CDC25A (0.45) CDC25ACDC25BPPM1DGPBAR1AKR1B10
SCHEMBL9010602 1.00 CDC25A (0.45) CDC25ACDC25BPPM1DGPBAR1AKR1B10
SCHEMBL14444978 1.00 CDC25A (0.45) CDC25ACDC25BPPM1DGPBAR1AKR1B10
SCHEMBL14107820 1.00 CDC25A (0.45) CDC25ACDC25BPPM1DGPBAR1AKR1B10
SCHEMBL8503807 0.94 CDC25A (0.39) CDC25ACDC25BPPM1D
SCHEMBL8091627 0.94 CDC25A (0.39) CDC25ACDC25BPPM1D
SCHEMBL8091626 0.94 CDC25A (0.39) CDC25ACDC25BPPM1D
SCHEMBL14598213 0.91 CDC25A (0.48) CDC25ACDC25BGPBAR1AKR1B10AKR1B1
SCHEMBL21613301 0.91 CDC25A (0.48) CDC25ACDC25BGPBAR1AKR1B10AKR1B1

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-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES MCGILL UNIVERSITY (CA) 2010-01-21 US disclosed
US-6043385-A TREATMENT OF PSORIASIS, BASAL CELL CARCINOMAS, DISORDERS OF KERATINIZATION AND KERATOSIS, NEOPLASTIC DISEASES SUCH AS LEUKEMIA, DISORDERS OF THE SEBACEOUS GLANDS SUCH AS ACNE AND SEBORRHOIC DERMATITIS, OSTEOPOROSIS, HYPERPARATHYROIDISM HOFFMAN-LA ROCHE INC. (US) 2000-03-28 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-20100016435-A1 HYBRID MOLECULES HAVING MIXED VITAMIN D RECEPTOR AGONISM AND HISTONE DEACETYLASE INHIBITORY PROPERTIES VDR, HDAC3, HDAC4 CDC25A 4255/4885CDC25B 4583/4885PPM1D 4081/4885

“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.