SCHEMBL16409183

SCHEMBL16409183

CCCCOC(=O)[C@]1(C)CCCC[C@@H]1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.39
TSHR P16473 2/20 0.39
LMNA P02545 2/20 0.39
ABCB11 O95342 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM4 P08173 1/20 0.39
CHRM5 P08912 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
CYP2C9 P11712 1/20 0.39
CHRM3 P20309 1/20 0.39
DRD1 P21728 1/20 0.39
HRH2 P25021 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HRH1 P35367 1/20 0.39
DRD3 P35462 1/20 0.39
SCN1A P35498 1/20 0.39
THPO P40225 1/20 0.39

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
SCHEMBL16214712 0.84 F10 (0.49) CYP3A4TSHRLMNAABCB11CYP1A2
SCHEMBL1066368 0.84 F10 (0.49) CYP3A4TSHRLMNAABCB11CYP1A2
SCHEMBL16391282 0.84 F10 (0.49) CYP3A4TSHRLMNAABCB11CYP1A2
SCHEMBL27216297 0.82 CYP3A4 (0.37) CYP3A4TSHRLMNAABCB11CYP1A2
SCHEMBL11229001 0.82 CYP3A4 (0.37) CYP3A4TSHRLMNAABCB11CYP1A2
SCHEMBL28833008 0.79 NAAA (0.40) CYP3A4TSHRLMNAABCB11CYP1A2
SCHEMBL16391387 0.79 F10 (0.50) LMNAMEN1KMT2AF10
SCHEMBL27634524 0.79 F10 (0.50) LMNAMEN1KMT2AF10
SCHEMBL20221633 0.79 F10 (0.50) LMNAMEN1KMT2AF10
SCHEMBL11229711 0.77 NAAA (0.38) CYP3A4TSHRLMNAABCB11CYP1A2

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 CYP3A4 2495/4885TSHR 4427/4885LMNA 4392/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 CYP3A4 2495/4885TSHR 4427/4885LMNA 4392/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP3A4 3019/4885TSHR 4357/4885LMNA 4275/4885

“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.