SCHEMBL18905751

SCHEMBL18905751

Cc1cccc(N2C(=C3N(c4cccc(C)c4)c4cc(C)c(C)cc4N3c3cccc(C)c3)N(c3cccc(C)c3)c3cc(C)c(C)cc32)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.53
MGLL Q99685 1/20 0.53
L3MBTL1 Q9Y468 4/20 0.52
MAPT P10636 2/20 0.44
HSD17B10 Q99714 1/20 0.44
ALDH1A1 P00352 3/20 0.43
CACNA1B Q00975 1/20 0.42
APBA1 Q02410 1/20 0.42
ACHE P22303 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX12 P18054 1/20 0.41
CYP2C19 P33261 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
CASP6 P55212 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
SCHEMBL18911910 0.94 HSP90AA1 (0.49) HSP90AA1MGLLL3MBTL1MAPTHSD17B10
SCHEMBL18911714 0.82 HSP90AA1 (0.47) HSP90AA1MGLLL3MBTL1MAPTHSD17B10
SCHEMBL17383518 0.81 NPC1 (0.45) MGLLMAPTALDH1A1CYP2C19MEN1
SCHEMBL18905755 0.81 ALDH1A1 (0.39) HSP90AA1MGLLL3MBTL1MAPTHSD17B10
SCHEMBL18911688 0.80 HSP90AA1 (0.46) HSP90AA1MGLLL3MBTL1MAPTHSD17B10
SCHEMBL18905754 0.79 ALDH1A1 (0.51) HSP90AA1MGLLMAPTHSD17B10ALDH1A1
SCHEMBL18905724 0.79 HSP90AA1 (0.46) HSP90AA1L3MBTL1MAPTALDH1A1KMT2A
SCHEMBL18905723 0.78 NOTUM (0.42) HSP90AA1MGLLACHEKEAP1NFE2L2
SCHEMBL18905703 0.78 NOTUM (0.42) HSP90AA1MGLLMAPTALDH1A1CYP3A4
SCHEMBL18905756 0.78 NPC1 (0.42) MGLLMAPTALDH1A1CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180108691-A1 ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, OPTICAL AREA SENSOR, IMAGING DEVICE, AND IMAGING APPARATUS CANON KABUSHIKI KAISHA (JP) 2018-04-19 US disclosed
US-9882148-B2 Organic compound, field element, organic light-emitting element, display apparatus, image information-processing apparatus, lighting apparatus, image-forming apparatus, and exposure apparatus CANON KABUSHIKI KAISHA (JP) 2018-01-30 US disclosed
US-20170155059-A1 ORGANIC COMPOUND, FIELD ELEMENT, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE INFORMATION-PROCESSING APPARATUS, LIGHTING APPARATUS, IMAGE-FORMING APPARATUS, AND EXPOSURE APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-06-01 US disclosed
US-20170155059-A1 ORGANIC COMPOUND, FIELD ELEMENT, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE INFORMATION-PROCESSING APPARATUS, LIGHTING APPARATUS, IMAGE-FORMING APPARATUS, AND EXPOSURE APPARATUS CANON KABUSHIKI KAISHA (JP) 2017-06-01 US 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-20170155059-A1 ORGANIC COMPOUND, FIELD ELEMENT, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY APPARATUS, IMAGE INFORMATION-PROCESSING APPARATUS, LIGHTING APPARATUS, IMAGE-FORMING APPARATUS, AND EXPOSURE APPARATUS SCO2, OGFOD1, OXER1 HSP90AA1 3786/4885MGLL 4383/4885L3MBTL1 277/4885

“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.