SCHEMBL25433937

SCHEMBL25433937

CC1(C)CCC[C@]2(C)C(CO[Si](C)(C)C)C(=O)CC[C@@H]12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PNLIP P16233 3/20 0.40
▸ RPS6KA5 O75582 2/20 0.39
▸ MAPKAPK2 P49137 2/20 0.39
▸ PTPN2 P17706 2/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ ATP1A1 P05023 7/20 0.37
▸ ATP1B1 P05026 7/20 0.37
▸ ATP1A3 P13637 7/20 0.37
▸ ATP1B2 P14415 7/20 0.37
▸ ATP1A2 P50993 7/20 0.37
▸ ATP1B3 P54709 7/20 0.37
▸ FXYD2 P54710 7/20 0.37
▸ ATP1A4 Q13733 7/20 0.37
▸ NR1H4 Q96RI1 1/20 0.36
▸ CYP19A1 P11511 2/20 0.34

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
SCHEMBL31592754 1.00 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25437972 1.00 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30585235 1.00 ALDH1A1 (0.41) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL30585226 0.90 RPS6KA5 (0.38) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25397289 0.84 PNLIP (0.50) CYP3A4PNLIPRPS6KA5MAPKAPK2PTPN2
SCHEMBL25397549 0.84 PNLIP (0.50) CYP3A4PNLIPRPS6KA5MAPKAPK2PTPN2
SCHEMBL30585240 0.84 PNLIP (0.50) CYP3A4PNLIPRPS6KA5MAPKAPK2PTPN2
SCHEMBL25394646 0.83 PTPN2 (0.43) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL31592740 0.83 PTPN2 (0.43) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19
SCHEMBL25396651 0.83 PTPN2 (0.43) ALDH1A1CYP3A4CYP2C9TSHRCYP2C19

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 3 patents. 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
EP-4479369-A1 PROCESS FOR PREPARING OCTAHYDRO-2(1H)-NAPHTHALENONE DERIVATIVES Firmenich SA (CH) 2024-12-25 — — EP disclosed
WO-2023156429-A1 PROCESS FOR PREPARING OCTAHYDRO-2(1H)-NAPHTHALENONE DERIVATIVES FIRMENICH SA (CH) 2023-08-24 — — WO 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 ALDH1A1 173/4885CYP3A4 12/4885CYP2C9 39/4885

“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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