SCHEMBL1802128

SCHEMBL1802128

Oc1ccc(-c2ccccc2)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.59
HSD17B1 P14061 2/20 0.56
HSD17B2 P37059 2/20 0.56
ESR2 Q92731 3/20 0.53
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
CNR1 P21554 1/20 0.47
NR2F2 P24468 1/20 0.47
CNR2 P34972 1/20 0.47
KMT2A Q03164 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
BACE1 P56817 1/20 0.45
AR P10275 2/20 0.44
ESR1 P03372 2/20 0.44
S1PR1 P21453 3/20 0.43
S1PR3 Q99500 1/20 0.43
HSP90AA1 P07900 1/20 0.42
PDK2 Q15119 1/20 0.42
KIF11 P52732 1/20 0.42
MMP3 P08254 1/20 0.41

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
SCHEMBL28415938 0.88 HSD17B1 (0.59) ALOX5HSD17B1HSD17B2ESR2AR
SCHEMBL31256038 0.83 GLA (0.54) ALOX5HSD17B1HSD17B2ESR2AR
SCHEMBL5792355 0.83 GLA (0.54) ALOX5HSD17B1HSD17B2ESR2AR
SCHEMBL27870662 0.83 HSD17B1 (0.55) HSD17B1HSD17B2ESR2MEN1KMT2A
SCHEMBL9830978 0.83 HSD17B1 (0.52) ALOX5HSD17B1HSD17B2PDK2
SCHEMBL4224790 0.81 HSD17B1 (0.57) HSD17B1HSD17B2ESR2CNR1CNR2
SCHEMBL14832293 0.81 CYP11B1 (0.56) HSD17B1HSD17B2MAPTS1PR1S1PR3
SCHEMBL30753562 0.81 ALOX5 (0.59) ALOX5HSD17B1HSD17B2ESR2KMT2A
SCHEMBL28526907 0.81 ALOX5 (0.59) ALOX5HSD17B1HSD17B2ESR2KMT2A
SCHEMBL8994507 0.81 ALOX5 (0.59) ALOX5HSD17B1HSD17B2ESR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011054530-A1 GPBP INHIBITION USING Q2 PEPTIDOMIMETICS FIBROSTATIN, S.L. (ES) 2011-05-12 WO claimed
EP-1758853-B1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES LILLY CO ELI (US) 2010-01-20 EP disclosed
US-20090221547-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2009-09-03 US disclosed
US-20090221547-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2009-09-03 US disclosed
US-20090221547-A1 Immunosuppressant Compounds and Compositions IRM LLC (BM) 2009-09-03 US disclosed
CN-101291908-A Immunosuppressant compounds and compositions IRM LLC (BM) 2008-10-22 CN disclosed
EP-1917240-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2008-05-07 EP disclosed
EP-1758853-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2007-03-07 EP disclosed
WO-2007024922-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2007-03-01 WO disclosed
WO-2007024922-A1 IMMUNOSUPPRESSANT COMPOUNDS AND COMPOSITIONS IRM LLC (BM) 2007-03-01 WO disclosed
WO-2005123668-A1 GLUCAGON RECEPTOR ANTAGONISTS, PREPARATION AND THERAPEUTIC USES ELI LILLY AND COMPANY (US) 2005-12-29 WO disclosed
CN-1088453-C Fluorine-substituted liquid-crystal compound, liquid-crystal composition and liquid-crystal display device CHISSO CORP (JP) 2002-07-31 CN disclosed
CN-1184462-A Fluorine-substituted liquid-crystal compound, liquid-crystal composition and liquid-crystal display device CHISSO CORP (JP) 1998-06-10 CN 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-20090221547-A1 Immunosuppressant Compounds and Compositions ICOS, EDNRA, ICOSLG ALOX5 294/4885HSD17B1 1359/4885HSD17B2 1265/4885

“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.