SCHEMBL16622825

SCHEMBL16622825

C=C1CCC2[C@](C)(CCC[C@]2(C)C(=O)O)[C@H]1CCC=O

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 6/20 0.66
POLB P06746 1/20 0.64
MAPT P10636 1/20 0.64
PNLIP P16233 2/20 0.49
PTPN2 P17706 1/20 0.49
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
MMP2 P08253 1/20 0.45

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
SCHEMBL18995569 1.00 PTPN1 (0.66) PTPN1POLBMAPTPNLIPPTPN2
SCHEMBL20533812 0.85 PTPN1 (0.77) PTPN1POLBMAPTPNLIPPTPN2
SCHEMBL14356951 0.84 PNLIP (0.62) PTPN1POLBMAPTPNLIPPTPN2
SCHEMBL16622815 0.83 PTPN1 (0.66) PTPN1POLBMAPTPNLIPPTPN2
SCHEMBL30671350 0.83 POLB (0.67) PTPN1POLBMAPTPNLIPPTPN2
Isocupressic Acid SCHEMBL13532265 0.82 POLB (0.66) PTPN1POLBMAPTPNLIPPTPN2
Agathic Acid SCHEMBL21914839 0.82 TAS2R31 (0.64) PTPN1POLBMAPTPNLIPPTPN2
Isocupressic Acid SCHEMBL19139984 0.82 POLB (0.66) PTPN1POLBMAPTPNLIPPTPN2
Agathic Acid SCHEMBL29358171 0.82 TAS2R31 (0.64) PTPN1POLBMAPTPNLIPPTPN2
Agathic Acid SCHEMBL30436331 0.82 TAS2R31 (0.64) PTPN1POLBMAPTPNLIPPTPN2

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
EP-2857391-B1 LABDANE DITERPENOID COMPOUNDS, SEMEN BIOTAE EXTRACT, AND PREPARATION METHOD AND USE THEREOF UNIV SUN YAT SEN (CN) 2017-07-19 EP disclosed
US-9682111-B2 Method for preventing or treating neurodegenerative diseases SU WEIWEI (CN) 2017-06-20 US disclosed
US-20160082059-A1 METHOD FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES SU WEIWEI (CN) 2016-03-24 US disclosed
US-20150105460-A1 LABDANE DITERPENOID COMPOUNDS, SEMEN BIOTAE EXTRACT, AND PREPARATION METHOD AND USE THEREOF SU WEIWEI (CN) 2015-04-16 US disclosed
EP-2857391-A1 LABDANE DITERPENOID COMPOUNDS, SEMEN BIOTAE EXTRACT, AND PREPARATION METHOD AND USE THEREOF Sun Yat-Sen University (CN) 2015-04-08 EP 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-20150105460-A1 LABDANE DITERPENOID COMPOUNDS, SEMEN BIOTAE EXTRACT, AND PREPARATION METHOD AND USE THEREOF NASP, GSDMD, DRD5 PTPN1 4881/4885POLB 1492/4885MAPT 139/4885
US-20160082059-A1 METHOD FOR PREVENTING OR TREATING NEURODEGENERATIVE DISEASES SNCA, HTT, PARK7 PTPN1 4572/4885POLB 708/4885MAPT 9/4885

“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.