SCHEMBL4980772

SCHEMBL4980772

C=CCc1c(O)cccc1NC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HSD17B10 Q99714 1/20 0.49
HPGD P15428 1/20 0.42
MTNR1A P48039 1/20 0.41
MAPT P10636 4/20 0.41
MAPK1 P28482 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
POLB P06746 3/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HTT P42858 1/20 0.40
MAOA P21397 1/20 0.39
APOBEC3A P31941 1/20 0.39
GFER P55789 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
SCHEMBL14402853 0.83 CYP2C19 (0.47) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4983143 0.81 GABRA1 (0.46) KDM4EALDH1A1HSD17B10MAPTMAPK1
SCHEMBL8547885 0.80 MAPK1 (0.49) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL13978662 0.78 KDM4E (0.55) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL11370867 0.78 MAPK1 (0.50) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL4132400 0.76 GABRA1 (0.40) KDM4EALDH1A1HSD17B10HPGDMAPT
SCHEMBL17694444 0.76 THRB (0.42) KDM4EALDH1A1HSD17B10HPGDMTNR1A
SCHEMBL11071612 0.76 MEN1 (0.39) KDM4EALDH1A1HPGDMTNR1AMAPT
SCHEMBL29645124 0.76 THRB (0.42) KDM4EALDH1A1HSD17B10HPGDMTNR1A
SCHEMBL10940633 0.76 ALDH1A1 (0.56) KDM4EALDH1A1HSD17B10HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2802557-B1 LEUKOTRIENE B4 ANTAGONIST COMPOUND LILLY CO ELI (US) 2016-04-06 EP disclosed
EP-2802557-B1 LEUKOTRIENE B4 ANTAGONIST COMPOUND LILLY CO ELI (US) 2016-04-06 EP disclosed
US-9187411-B2 Leukotriene B4 antagonist compound ELI LILLY AND COMPANY (US) 2015-11-17 US disclosed
US-9187411-B2 Leukotriene B4 antagonist compound ELI LILLY AND COMPANY (US) 2015-11-17 US disclosed
US-9187411-B2 Leukotriene B4 antagonist compound ELI LILLY AND COMPANY (US) 2015-11-17 US disclosed
US-20140343151-A1 LEUKOTRIENE B4 ANTAGONIST COMPOUND ELI LILLY AND COMPANY 2014-11-20 US disclosed
US-20140343151-A1 LEUKOTRIENE B4 ANTAGONIST COMPOUND ELI LILLY AND COMPANY 2014-11-20 US disclosed
US-20140343151-A1 LEUKOTRIENE B4 ANTAGONIST COMPOUND ELI LILLY AND COMPANY 2014-11-20 US disclosed
EP-2802557-A1 LEUKOTRIENE B4 ANTAGONIST COMPOUND Eli Lilly and Company (US) 2014-11-19 EP disclosed
WO-2013106238-A1 LEUKOTRIENE B4 ANTAGONIST COMPOUND ELI LILLY AND COMPANY (US) 2013-07-18 WO disclosed
WO-2013106238-A1 LEUKOTRIENE B4 ANTAGONIST COMPOUND ELI LILLY AND COMPANY (US) 2013-07-18 WO disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2008-05-22 US disclosed
EP-1847535-A1 1-(PIPERIDIN-4-YL)-1H-INDOLE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2007-10-24 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 (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-20140343151-A1 LEUKOTRIENE B4 ANTAGONIST COMPOUND LTB4R2, LTB4R, LTA4H KDM4E 3325/4885ALDH1A1 2170/4885HSD17B10 391/4885
US-20080119518-A1 1-(Piperidin-4- Yl)-1H-Indole Derivatives TPH1, HTR1D, HTR1B KDM4E 1637/4885ALDH1A1 91/4885HSD17B10 1696/4885

“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.