SCHEMBL16407828

SCHEMBL16407828

CCOC(=O)[C@@]1(C)CC2(CC[C@H]1OCc1ccccc1)OCCO2

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 2/20 0.50
CYP2C19 P33261 2/20 0.50
RECQL P46063 1/20 0.40
F10 P00742 2/20 0.40
LMNA P02545 4/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.38
C5AR1 P21730 2/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
KDM4E B2RXH2 2/20 0.37
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
MAPT P10636 1/20 0.37
ADAM17 P78536 1/20 0.36

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
SCHEMBL16371110 0.88 CYP2C9 (0.52) CYP2C9CYP2C19LMNAALDH1A1C5AR1
SCHEMBL16407826 0.84 F10 (0.41) CYP2C9CYP2C19RECQLF10LMNA
SCHEMBL27655519 0.81 NR1H2 (0.46) CYP2C9CYP2C19RECQLF10LMNA
SCHEMBL15564665 0.79 CYP2C9 (0.48) CYP2C9CYP2C19C5AR1
SCHEMBL16409181 0.79 LMNA (0.33) CYP2C9CYP2C19F10LMNAALDH1A1
SCHEMBL16407825 0.77 CYP3A4 (0.41) CYP2C9CYP2C19F10LMNAALDH1A1
SCHEMBL16407827 0.74 F10 (0.41) CYP2C9CYP2C19F10LMNAALDH1A1
SCHEMBL16370896 0.74 F10 (0.41) CYP2C9CYP2C19F10LMNAALDH1A1
SCHEMBL30069335 0.72 SMN1; SMN2 (0.54) CYP2C9CYP2C19KMT2AMEN1KDM4E
SCHEMBL27655509 0.71 KDM4E (0.43) CYP2C9CYP2C19RECQLLMNAALDH1A1

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 CYP2C9 3259/4885CYP2C19 4064/4885RECQL 1466/4885
US-20150297568-A1 Hepatitis C Virus Inhibitors HAVCR2, MAVS, EIF2AK2 CYP2C9 3259/4885CYP2C19 4064/4885RECQL 1466/4885
US-20160158200-A1 Combinations of Hepatitis C Virus Inhibitors HAVCR2, EIF2AK2, MAVS CYP2C9 4028/4885CYP2C19 4541/4885RECQL 1323/4885

“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.