SCHEMBL16248053

SCHEMBL16248053

CO[C@H]1CCC2(C)C3CCC4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@H]4[C@@H]3CC[C@H]2C1

nearest known ligand 0.74

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 4/20 0.74
POLA1 P09884 1/20 0.73
CYP2D6 P10635 1/20 0.72
CYP2C19 P33261 1/20 0.72
INPP5D Q92835 1/20 0.71
ST6GAL1 P15907 2/20 0.61
VDR P11473 4/20 0.58
USP2 O75604 1/20 0.58
FOLH1 Q04609 1/20 0.58
OSBP P22059 1/20 0.57
OSBP2 Q969R2 1/20 0.57
ABCC4 O15439 1/20 0.56
FGF1 P05230 1/20 0.56
HPSE Q9Y251 1/20 0.56
CYP2C9 P11712 1/20 0.55
HIF1A Q16665 1/20 0.55
GPBAR1 Q8TDU6 1/20 0.55

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
SCHEMBL26912121 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL4737651 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL26912125 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL19009192 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL19722006 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL17875190 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL23282987 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL12590990 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL10017479 1.00 CDC25A (0.74) CDC25APOLA1CYP2D6CYP2C19INPP5D
SCHEMBL728827 0.92 CDC25A (0.76) CDC25APOLA1CYP2D6CYP2C19INPP5D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF MEMORIAL SLOAN-KETTERING INST FOR CANCER RES (US) 2017-10-05 US disclosed
US-9718850-B2 Triterpene saponins, methods of synthesis and uses thereof MEMORIAL SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 2017-08-01 US disclosed
US-20150086585-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF MEMORIAL SLOAN KETTERING INST FOR CANCER RES (US) 2015-03-26 US disclosed
US-8889842-B2 Triterpene saponins, methods of synthesis, and uses thereof Sloan-Kettering Insititute for Cancer Research (US) 2014-11-18 US disclosed
US-20110300177-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-12-08 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 (3 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-20110300177-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS, AND USES THEREOF LSS, CYP51A1, TLR7 CDC25A 500/4885POLA1 295/4885CYP2D6 602/4885
US-20150086585-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF LSS, CYP51A1, TLR7 CDC25A 556/4885POLA1 248/4885CYP2D6 655/4885
US-20170283450-A1 TRITERPENE SAPONINS, METHODS OF SYNTHESIS AND USES THEREOF LSS, CYP51A1, TLR7 CDC25A 556/4885POLA1 248/4885CYP2D6 655/4885

“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.