SCHEMBL15560675

SCHEMBL15560675

OC1C=C(c2noc3cccc(F)c23)c2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KDR P35968 5/20 0.35
FLT3 P36888 5/20 0.35
KIT P10721 4/20 0.35
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
HTR7 P34969 1/20 0.32
PLK4 O00444 1/20 0.32
ROCK2 O75116 1/20 0.32
RPS6KA5 O75582 1/20 0.32
MAP4K4 O95819 1/20 0.32
RET P07949 1/20 0.32
PDGFRB P09619 1/20 0.32
PIM1 P11309 1/20 0.32
FGFR1 P11362 1/20 0.32
SRC P12931 1/20 0.32
PDGFRA P16234 1/20 0.32

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
SCHEMBL15560570 0.81 ESR1 (0.48) ESR1ESR2
SCHEMBL9960658 0.74 KDR (0.36) KDRFLT3KITPLK4ROCK2
SCHEMBL15553918 0.73 TNKS2 (0.39) NPC1
SCHEMBL15559971 0.72 ESR1 (0.38) SMN1; SMN2ESR1ESR2
SCHEMBL15560139 0.72 ESR1 (0.43) ESR1ESR2
SCHEMBL16819668 0.69 ESR1 (0.40) NPC1RAB9ATP53SMN1; SMN2ESR1
SCHEMBL16819657 0.69 ACHE (0.37) NPC1RAB9ATP53SMN1; SMN2ESR1
SCHEMBL15555685 0.67 EPHX2 (0.37) SMN1; SMN2
SCHEMBL617995 0.65 TP53 (0.41) NPC1RAB9AKDRFLT3KIT
SCHEMBL16819678 0.64 MDM2 (0.31) NPC1RAB9A

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
EP-2864290-B1 3-O-HETEROARYL-INGENOL LEO LABORATORIES LTD (IE) 2017-06-14 EP claimed
US-9422309-B2 3-O-heteroaryl-ingenol LEO LABORATORIES LIMITED (IE) 2016-08-23 US claimed
US-20150175622-A1 3-O-HETEROARYL-INGENOL LEO LABORATORIES LIMITED (IE) 2015-06-25 US claimed
EP-2864290-A2 3-O-HETEROARYL-INGENOL Leo Laboratories Limited (IE) 2015-04-29 EP claimed
WO-2014001215-A2 3-O-HETEROARYL-INGENOL LEO LABORATORIES LIMITED (IE) 2014-01-03 WO claimed
EP-2864290-B1 3-O-HETEROARYL-INGENOL LEO LABORATORIES LTD (IE) 2017-06-14 EP disclosed
US-9422309-B2 3-O-heteroaryl-ingenol LEO LABORATORIES LIMITED (IE) 2016-08-23 US disclosed
US-20150175622-A1 3-O-HETEROARYL-INGENOL LEO LABORATORIES LIMITED (IE) 2015-06-25 US disclosed
EP-2864290-A2 3-O-HETEROARYL-INGENOL Leo Laboratories Limited (IE) 2015-04-29 EP disclosed
WO-2014001215-A2 3-O-HETEROARYL-INGENOL LEO LABORATORIES LIMITED (IE) 2014-01-03 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-20150175622-A1 3-O-HETEROARYL-INGENOL VDR, RXRA, PPARG NPC1 582/4885RAB9A 2588/4885KDR 2595/4885

“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.