SCHEMBL31592691

SCHEMBL31592691

CCOCCOCC1C(=O)CCC2C(C)(C)CCCC12C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 3/20 0.38
▸ PTPN2 P17706 2/20 0.37
▸ PTPN1 P18031 2/20 0.37
▸ RPS6KA5 O75582 2/20 0.37
▸ MAPKAPK2 P49137 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ ATP1A1 P05023 6/20 0.36
▸ ATP1B1 P05026 6/20 0.36
▸ ATP1A3 P13637 6/20 0.36
▸ ATP1B2 P14415 6/20 0.36
▸ ATP1A2 P50993 6/20 0.36
▸ ATP1B3 P54709 6/20 0.36
▸ FXYD2 P54710 6/20 0.36
▸ ATP1A4 Q13733 6/20 0.36
▸ CYP19A1 P11511 1/20 0.33
▸ NR1H4 Q96RI1 1/20 0.33

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
SCHEMBL30585221 0.84 PNLIP (0.42) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL30585228 0.83 ATP1A1 (0.36) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL30585226 0.80 RPS6KA5 (0.38) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL30585219 0.80 RPS6KA5 (0.38) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL31592694 0.80 RPS6KA5 (0.38) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL25436327 0.80 RPS6KA5 (0.38) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL30585236 0.80 RPS6KA5 (0.38) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL25438431 0.80 RPS6KA5 (0.38) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL25437972 0.79 ALDH1A1 (0.41) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2
SCHEMBL31592749 0.79 PNLIP (0.45) PNLIPPTPN2PTPN1RPS6KA5MAPKAPK2

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-20250171391-A1 PROCESS FOR PREPARING OCTAHYDRO-2(1H)-NAPHTHALENONE DERIVATIVES FIRMENICH SA (CH) 2025-05-29 — — 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-20250171391-A1 PROCESS FOR PREPARING OCTAHYDRO-2(1H)-NAPHTHALENONE DERIVATIVES POR, NDUFV1, NDUFV2 PNLIP 1966/4885PTPN2 4240/4885PTPN1 4332/4885

“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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