SCHEMBL31592749

SCHEMBL31592749

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNLIP P16233 3/20 0.45
▸ PTPN2 P17706 2/20 0.43
▸ PTPN1 P18031 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ TRPA1 O75762 1/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNB4 P30926 1/20 0.37
▸ CHRNA3 P32297 1/20 0.37
▸ CHRNA4 P43681 1/20 0.37
▸ ATP1A1 P05023 6/20 0.37
▸ ATP1B1 P05026 6/20 0.37
▸ ATP1A3 P13637 6/20 0.37
▸ ATP1B2 P14415 6/20 0.37
▸ ATP1A2 P50993 6/20 0.37
▸ ATP1B3 P54709 6/20 0.37
▸ FXYD2 P54710 6/20 0.37

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
SCHEMBL25395509 1.00 PNLIP (0.45) PNLIPPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL25396431 1.00 PNLIP (0.45) PNLIPPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL30585216 1.00 PNLIP (0.45) PNLIPPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL25395046 0.85 PNLIP (0.58) PNLIPPTPN2PTPN1CYP3A4CYP19A1
SCHEMBL25397921 0.85 PNLIP (0.58) PNLIPPTPN2PTPN1CYP3A4CYP19A1
SCHEMBL25435569 0.85 PNLIP (0.58) PNLIPPTPN2PTPN1CYP3A4CYP19A1
SCHEMBL30585231 0.85 PNLIP (0.58) PNLIPPTPN2PTPN1CYP3A4CYP19A1
SCHEMBL25433937 0.81 ALDH1A1 (0.41) PNLIPPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL31592754 0.81 ALDH1A1 (0.41) PNLIPPTPN2PTPN1ALDH1A1CYP3A4
SCHEMBL25437972 0.81 ALDH1A1 (0.41) PNLIPPTPN2PTPN1ALDH1A1CYP3A4

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.

Send feedback