SCHEMBL16226832

SCHEMBL16226832

CC(C)CCC[C@@H](C)C1CCC2C1(C)CCC1C2(O)C(O)C[C@H]2CCCCC12C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ INPP5D Q92835 1/20 0.57
▸ CDC25A P30304 10/20 0.55
▸ CDC25B P30305 10/20 0.55
▸ PLA2G1B P04054 1/20 0.46
▸ USP2 O75604 3/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ NPC1L1 Q9UHC9 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GPBAR1 Q8TDU6 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.43
▸ ADORA3 P0DMS8 1/20 0.43
▸ SLC6A2 P23975 1/20 0.43
▸ AGTR1 P30556 1/20 0.43

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
SCHEMBL7127648 0.88 INPP5D (0.55) INPP5DCDC25ACDC25BPLA2G1BUSP2
SCHEMBL7127645 0.88 INPP5D (0.55) INPP5DCDC25ACDC25BPLA2G1BUSP2
SCHEMBL18541413 0.78 INPP5D (0.73) INPP5DCDC25ACDC25BPLA2G1BUSP2
SCHEMBL6560618 0.78 INPP5D (0.62) INPP5DCDC25ACDC25BPLA2G1BUSP2
SCHEMBL6560622 0.78 INPP5D (0.62) INPP5DCDC25ACDC25BPLA2G1BUSP2
SCHEMBL30364762 0.76 CDC25A (0.59) INPP5DCDC25ACDC25BMEN1KMT2A
SCHEMBL24103972 0.75 INPP5D (0.64) INPP5DCDC25ACDC25BPLA2G1BUSP2
SCHEMBL294537 0.75 GPBAR1 (0.74) CDC25ACDC25BMEN1KMT2ALMNA
SCHEMBL11383608 0.75 GPBAR1 (0.74) CDC25ACDC25BMEN1KMT2ALMNA
SCHEMBL16226084 0.75 USP2 (0.52) USP2MEN1KMT2ALMNATP53

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 INPP5D 4454/4885CDC25A 334/4885CDC25B 1240/4885

“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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