SCHEMBL16001864

SCHEMBL16001864

C=C1CCC2C(C)(C)CCC[C@]2(C)[C@H]1CCC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 6/20 0.56
▸ PNLIP P16233 3/20 0.56
▸ PTPN2 P17706 2/20 0.56
▸ TAS2R31 P59538 1/20 0.50
▸ POLB P06746 1/20 0.48
▸ MAPT P10636 1/20 0.48
▸ RPS6KA5 O75582 2/20 0.47
▸ MAPKAPK2 P49137 2/20 0.47
▸ LMNA P02545 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL9864391 1.00 PTPN1 (0.56) PTPN1PNLIPPTPN2TAS2R31POLB
SCHEMBL13722523 1.00 PTPN1 (0.56) PTPN1PNLIPPTPN2TAS2R31POLB
SCHEMBL24264493 1.00 PTPN1 (0.56) PTPN1PNLIPPTPN2TAS2R31POLB
SCHEMBL25667472 0.92 PTPN1 (0.54) PTPN1PNLIPPTPN2TAS2R31POLB
SCHEMBL14667947 0.88 TAS2R31 (0.52) PTPN1PNLIPPTPN2TAS2R31POLB
Copalic Acid SCHEMBL34460866 0.88 TAS2R31 (0.66) PTPN1PNLIPPTPN2TAS2R31POLB
Copalic Acid SCHEMBL25221800 0.88 TAS2R31 (0.66) PTPN1PNLIPPTPN2TAS2R31POLB
Copalic Acid SCHEMBL29481956 0.88 TAS2R31 (0.66) PTPN1PNLIPPTPN2TAS2R31POLB
SCHEMBL25666955 0.88 PNLIP (0.53) PTPN1PNLIPPTPN2TAS2R31POLB
SCHEMBL25667484 0.88 PNLIP (0.53) PTPN1PNLIPPTPN2TAS2R31POLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230183761-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2023-06-15 — — US disclosed
US-20230183761-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2023-06-15 — — US disclosed
WO-2021005097-A9 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2022-02-24 — — WO disclosed
WO-2021005097-A1 BIOCATALYTIC METHOD FOR THE CONTROLLED DEGRADATION OF TERPENE COMPOUNDS FIRMENICH SA (CH) 2021-01-14 — — WO disclosed
US-20140249329-A1 C-HALOGEN BOND FORMATION THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2014-09-04 — — 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-20140249329-A1 C-HALOGEN BOND FORMATION CBR3, FOS, CBR1 PTPN1 4595/4885PNLIP 4272/4885PTPN2 4601/4885

“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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