SCHEMBL18541412

SCHEMBL18541412

CC(=O)NC1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)C([C@H](C)CCCC(C)C)CC[C@@H]32)C1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 1/20 0.68
▸ ACHE P22303 1/20 0.68
▸ CYP2C19 P33261 2/20 0.66
▸ CYP2D6 P10635 1/20 0.66
▸ INPP5D Q92835 1/20 0.65
▸ CDC25A P30304 3/20 0.65
▸ POLA1 P09884 1/20 0.65
▸ FOLH1 Q04609 1/20 0.56
▸ CASP7 P55210 3/20 0.56
▸ GPBAR1 Q8TDU6 3/20 0.56
▸ HIF1A Q16665 3/20 0.56
▸ TP53 P04637 2/20 0.56
▸ MAPK1 P28482 2/20 0.56
▸ HSD17B10 Q99714 2/20 0.56
▸ BLM P54132 2/20 0.56
▸ TDP1 Q9NUW8 2/20 0.56
▸ VDR P11473 2/20 0.56
▸ USP2 O75604 2/20 0.56
▸ CYP3A4 P08684 2/20 0.56
▸ MDM4 O15151 1/20 0.56

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
SCHEMBL2553921 1.00 BCHE (0.68) BCHEACHECYP2C19CYP2D6INPP5D
SCHEMBL9580404 1.00 BCHE (0.68) BCHEACHECYP2C19CYP2D6INPP5D
SCHEMBL12279967 1.00 BCHE (0.68) BCHEACHECYP2C19CYP2D6INPP5D
SCHEMBL18541463 1.00 BCHE (0.68) BCHEACHECYP2C19CYP2D6INPP5D
SCHEMBL21206235 1.00 BCHE (0.68) BCHEACHECYP2C19CYP2D6INPP5D
SCHEMBL20370390 0.91 CYP2C19 (0.62) BCHEACHECYP2C19CYP2D6INPP5D
SCHEMBL20374713 0.91 CYP2C19 (0.62) BCHEACHECYP2C19CYP2D6INPP5D
SCHEMBL17817066 0.89 CYP2C19 (0.66) BCHEACHECYP2C19CYP2D6INPP5D
SCHEMBL23635434 0.89 CYP2D6 (0.62) BCHEACHECYP2C19CYP2D6INPP5D
Hydrochloric Acid SCHEMBL8003235 0.89 INPP5D (0.66) BCHEACHECYP2C19CYP2D6INPP5D

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-11319336-B2 Ship inhibitors and uses thereof THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2022-05-03 — — US disclosed
US-20170051006-A1 SHIP INHIBITORS AND USES THEREOF THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2017-02-23 — — 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 (2 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-11319336-B2 Ship inhibitors and uses thereof PPP5C, DUSP1, DUSP5 BCHE 4267/4885ACHE 3989/4885CYP2C19 4686/4885
US-20170051006-A1 SHIP INHIBITORS AND USES THEREOF PPP5C, DUSP1, DUSP5 BCHE 4267/4885ACHE 3989/4885CYP2C19 4686/4885

“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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