SCHEMBL16226084

SCHEMBL16226084

CC(C)[C@@H](C)CC[C@@H](C)C1CCC2C1(C)CCC1C3(C)CCC(O)C[C@@H]3C[C@@H](O)[C@]21O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.52
▸ GPBAR1 Q8TDU6 11/20 0.45
▸ NR1H4 Q96RI1 5/20 0.45
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ ABCB11 O95342 2/20 0.42
▸ SLC10A2 Q12908 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ CHRM2 P08172 1/20 0.42
▸ ADRA2A P08913 1/20 0.42
▸ ADRA1A P35348 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ENPP2 Q13822 1/20 0.42
▸ SLC10A1 Q14973 1/20 0.42
▸ CISD1 Q9NZ45 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP8B1 Q9UNU6 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPK1 P28482 1/20 0.41

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
SCHEMBL16225939 1.00 USP2 (0.52) USP2GPBAR1NR1H4MEN1KMT2A
SCHEMBL7127648 0.87 INPP5D (0.55) USP2GPBAR1NR1H4MEN1KMT2A
SCHEMBL7127645 0.87 INPP5D (0.55) USP2GPBAR1NR1H4MEN1KMT2A
SCHEMBL16226138 0.86 USP2 (0.59) USP2GPBAR1NR1H4LMNACYP2C19
SCHEMBL26238244 0.75 USP2 (0.64) USP2GPBAR1NR1H4MEN1KMT2A
SCHEMBL26237886 0.75 USP2 (0.64) USP2GPBAR1NR1H4MEN1KMT2A
SCHEMBL16226832 0.75 INPP5D (0.57) USP2GPBAR1NR1H4MEN1KMT2A
SCHEMBL6560618 0.74 INPP5D (0.62) USP2GPBAR1NR1H4MEN1KMT2A
SCHEMBL6560622 0.74 INPP5D (0.62) USP2GPBAR1NR1H4MEN1KMT2A
SCHEMBL17825552 0.74 PTPN1 (0.45) USP2GPBAR1NR1H4MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 USP2 3057/4885GPBAR1 77/4885NR1H4 131/4885

“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.

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