SCHEMBL16409181

SCHEMBL16409181

CCCCO[C@@H]1CCC2(C[C@]1(C)C(=O)OCC)OCCO2

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
F10 P00742 4/20 0.32
POLB P06746 1/20 0.32
GPR119 Q8TDV5 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
CDC25B P30305 1/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
AKT1 P31749 10/20 0.31

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
SCHEMBL16391351 0.83 LMNA (0.35) LMNAHTTF10PTPN2PTPN1
SCHEMBL16409180 0.81 LMNA (0.34) LMNAHTTF10PTPN2PTPN1
SCHEMBL16391356 0.81 LMNA (0.34) LMNAHTTF10PTPN2PTPN1
SCHEMBL16407828 0.79 CYP2C9 (0.50) LMNAF10POLBCYP2C9CYP2C19
SCHEMBL16370896 0.78 F10 (0.41) LMNAF10POLBPTPN2PTPN1
SCHEMBL16407827 0.78 F10 (0.41) LMNAF10POLBPTPN2PTPN1
SCHEMBL16391352 0.73 F10 (0.36) LMNAHTTF10POLBPTPN2
SCHEMBL18500643 0.67 ALDH1A1 (0.42) LMNAPOLBGPR119PTPN1CYP2C19
SCHEMBL13130604 0.67 SMN1; SMN2 (0.35) LMNAGPR119ALDH1A1
SCHEMBL16391357 0.67 LMNA (0.34) LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770439-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-26 US disclosed
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2016-06-09 US disclosed
US-20150297568-A1 Hepatitis C Virus Inhibitors BRISTOL MYERS SQUIBB CO (US) 2015-10-22 US disclosed
US-20150023913-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2015-01-22 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 (3 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-20150023913-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885HTT 3063/4885F10 4066/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 LMNA 4392/4885HTT 3063/4885F10 4066/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS LMNA 4275/4885HTT 3546/4885F10 4217/4885

“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.