SCHEMBL793963

SCHEMBL793963

CCOC(=O)CCc1ccc(C(F)(F)F)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.52
CYP4A11 Q02928 2/20 0.52
EPHX2 P34913 1/20 0.51
DAO P14920 1/20 0.45
CYP4Z1 Q86W10 1/20 0.43
SYK P43405 3/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
P2RY12 Q9H244 1/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
APP P05067 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
FFAR1 O14842 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
MEN1 O00255 1/20 0.39
BRCA1 P38398 1/20 0.39
KMT2A Q03164 1/20 0.39
NOTUM Q6P988 1/20 0.39
JAK2 O60674 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
SCHEMBL584536 0.87 APP (0.43) CYP4F2CYP4A11EPHX2DAOSMN1; SMN2
SCHEMBL20496807 0.86 MAPT (0.45) EPHX2DAOCYP4Z1SYKTSHR
SCHEMBL901639 0.83 CYP4F2 (0.61) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL901787 0.82 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL3734531 0.80 CYP4F2 (0.58) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL584575 0.80 FFAR1 (0.51) EPHX2DAOFFAR1FFAR4MRGPRX4
SCHEMBL31511763 0.79 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL3928804 0.79 CYP4F2 (0.56) CYP4F2CYP4A11CYP4Z1PDE3BPDE3A
SCHEMBL901163 0.79 CYP4F2 (0.56) CYP4F2CYP4A11EPHX2CYP4Z1PDE3B
SCHEMBL27788071 0.78 DAO (0.43) DAOTSHRL3MBTL1FFAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-8946260-B2 17α-hydroxylase/C17,20-lyase inhibitors NOVARTIS AG (CH) 2015-02-03 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
US-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2014-02-13 US disclosed
EP-2627648-A1 17aHYDROXYLASE/C17,20-LYASE INHIBITORS Novartis AG (CH) 2013-08-21 EP disclosed
CN-103108871-A 17a-hydroxylase/c17,20-lyase inhibitors NOVARTIS AG 2013-05-15 CN disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO disclosed
WO-2012035078-A1 17α-HYDROXYLASE/C17,20-LYASE INHIBITORS NOVARTIS AG (CH) 2012-03-22 WO 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-20140045872-A1 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS CYP17A1, CYP21A2, HSD17B1 CYP4F2 116/4885CYP4A11 50/4885EPHX2 239/4885

“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.