SCHEMBL14886861

SCHEMBL14886861

CC(C)CCCC(C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](N)CC[C@]4(C)[C@@]3(C)CC[C@]12C

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.67
▸ CYP2C19 P33261 1/20 0.67
▸ INPP5D Q92835 2/20 0.66
▸ CDC25A P30304 6/20 0.49
▸ CDC25B P30305 2/20 0.49
▸ NPC1L1 Q9UHC9 4/20 0.47
▸ USP2 O75604 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ EBP Q15125 1/20 0.44
▸ POLA1 P09884 1/20 0.43
▸ SRD5A1 P18405 3/20 0.42
▸ SRD5A2 P31213 3/20 0.42
▸ BCHE P06276 1/20 0.41
▸ ACHE P22303 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
SCHEMBL27494141 0.82 CDC25A (0.55) CYP2D6CYP2C19INPP5DCDC25ACDC25B
SCHEMBL12279525 0.81 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ANPC1L1
SCHEMBL21589991 0.81 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ANPC1L1
SCHEMBL16344584 0.81 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ANPC1L1
SCHEMBL23016826 0.81 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ANPC1L1
SCHEMBL24104271 0.81 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ANPC1L1
SCHEMBL1881196 0.81 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ANPC1L1
SCHEMBL23645781 0.81 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ANPC1L1
SCHEMBL21946613 0.81 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ANPC1L1
SCHEMBL22712829 0.81 CYP2D6 (1.00) CYP2D6CYP2C19INPP5DCDC25ANPC1L1

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-20130102577-A1 SHIP INHIBITORS AND USES THEREOF THE RESEARCH FOUNDATION OF THE STATE UNIVERSITY OF NEW YORK (US) 2013-04-25 — — 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-20130102577-A1 SHIP INHIBITORS AND USES THEREOF PPP5C, DUSP1, DUSP5 CYP2D6 3990/4885CYP2C19 4686/4885INPP5D 53/4885

“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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