SCHEMBL9213633

SCHEMBL9213633

CCCOc1ccccc1-c1ccc(C#N)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.48
AR P10275 3/20 0.47
HTR7 P34969 1/20 0.46
FYN P06241 1/20 0.45
TP53 P04637 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
CYP11B2 P19099 2/20 0.44
CYP19A1 P11511 1/20 0.44
CYP11B1 P15538 1/20 0.44
KDM4E B2RXH2 4/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.43
ADRB1 P08588 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KMT2A Q03164 2/20 0.42
PIP4K2A P48426 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
MEN1 O00255 1/20 0.41
GRIA2 P42262 1/20 0.40
GRIA4 P48058 1/20 0.40

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
SCHEMBL9206767 0.91 KDM4E (0.49) ADRB2ARHTR7FYNTP53
SCHEMBL5310309 0.90 KDM4E (0.51) ADRB2ARHTR7FYNTP53
SCHEMBL1046904 0.90 KDM4E (0.51) ADRB2ARHTR7FYNTP53
SCHEMBL28337685 0.90 KDM4E (0.51) ADRB2ARHTR7FYNTP53
SCHEMBL12958318 0.84 IDO1 (0.48) ADRB2ARHTR7FYNTP53
Water SCHEMBL27583143 0.83 ADRB2 (0.65) ADRB2HTR7TP53MAPK1RAB9A
SCHEMBL9213631 0.82 CYP11B1 (0.61) ADRB2ARHTR7TP53MAPK1
SCHEMBL15522393 0.82 AR (0.51) ARHTR7FYNTP53MAPK1
SCHEMBL27301114 0.82 ADRB2 (0.63) ADRB2HTR7TP53MAPK1RAB9A
SCHEMBL1389258 0.81 ADRB2 (0.67) ADRB2HTR7TP53MAPK1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2691393-B1 NOVEL BICYCLIC PYRIDINONES PFIZER (US) 2016-09-14 EP disclosed
US-9067934-B2 Bicyclic pyridinones PFIZER INC. (US) 2015-06-30 US disclosed
US-20140045790-A1 Novel Bicyclic Pyridinones PFIZER INC. (US) 2014-02-13 US disclosed
EP-0180592-B1 LIGHT MODULATING MATERIAL COMPRISING A LIQUID CRYSTAL DISPERSION IN A SYNTHETIC RESIN MATRIX UNIV KENT STATE OHIO (US) 1995-08-02 EP disclosed
EP-0238626-B1 LIQUID CRYSTAL LIGHT-MODULATING MATERIALS UNIV KENT STATE OHIO (US) 1995-05-03 EP disclosed
EP-0202341-B1 DICHROIC AZO DYES MITSUI TOATSU CHEMICALS, Inc. (JP) 1990-03-28 EP disclosed
US-4734218-A COLOR DISPLAY MITSUI TOATSU CHEMICALS, INCORPORATED (JP) 1988-03-29 US disclosed
EP-0202341-A1 DICHROIC AZO DYES MITSUI TOATSU CHEMICALS, Inc. (JP) 1986-11-26 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 (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-20140045790-A1 Novel Bicyclic Pyridinones CYP2B6, CYP2C19, CYP2D6 ADRB2 355/4885AR 2670/4885HTR7 165/4885

“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.