SCHEMBL3900829

SCHEMBL3900829

COc1cc(-c2ccc(C(F)(F)F)cc2)ccc1N

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.69
CYP3A4 P08684 2/20 0.69
HSD17B10 Q99714 2/20 0.69
TSHR P16473 1/20 0.69
TDP1 Q9NUW8 1/20 0.69
KIF11 P52732 8/20 0.57
L3MBTL1 Q9Y468 3/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
POLB P06746 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
KMT2A Q03164 1/20 0.44
HDAC2 Q92769 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
AGXT P21549 1/20 0.43
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42

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
SCHEMBL568623 0.85 L3MBTL1 (0.56) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL29811663 0.85 L3MBTL1 (0.56) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL29399235 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TSHRTDP1
SCHEMBL48945 0.83 ALDH1A1 (1.00) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL622811 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL30053031 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL29494721 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Ammonia Solution, Strong SCHEMBL2259240 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Hydrochloric Acid SCHEMBL30913021 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1
Methane SCHEMBL28975440 0.81 ALDH1A1 (0.95) ALDH1A1CYP3A4HSD17B10TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706111-A4 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORP (US) 2009-03-04 EP disclosed
US-20070265345-A1 Novel Biphenyl Compounds And Their Use SMITHKLINE BEECHAM CORPORATION (US) 2007-11-15 US disclosed
US-20070142460-A1 Compounds, compositions and methods CYTOKINETICS, INCORPORATED 2007-06-21 US disclosed
EP-1778214-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP disclosed
EP-1706111-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2006-10-04 EP disclosed
WO-2006020358-A2 NOVEL BIPHENYL COMPOUNDS AND THEIR USE SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO disclosed
WO-2005062847-A2 COMPOUNDS, COMPOSITIONS AND METHODS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-14 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 (2 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-20070265345-A1 Novel Biphenyl Compounds And Their Use KIF5B, KIF5C, KIF5A ALDH1A1 1524/4885CYP3A4 2663/4885HSD17B10 1127/4885
US-20070142460-A1 Compounds, compositions and methods ALPP, PCNA, MKI67 ALDH1A1 2715/4885CYP3A4 4658/4885HSD17B10 1181/4885

“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.