SCHEMBL18905720

SCHEMBL18905720

CC(C)(C)c1cccc(N2C(=C3N(c4cccc(C(C)(C)C)c4)c4ccccc4N3c3cccc(C(C)(C)C)c3)N(c3cccc(C(C)(C)C)c3)c3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
NOTUM Q6P988 1/20 0.41
KIF11 P52732 1/20 0.37
ESRRA P11474 1/20 0.36
AR P10275 1/20 0.36
ACHE P22303 3/20 0.35
OPRM1 P35372 1/20 0.35
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 0.35
ALDH1A1 P00352 3/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
NPC1 O15118 1/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
CASP3 P42574 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

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
SCHEMBL18905694 0.89 NOTUM (0.39) HDAC4HDAC2HDAC8NOTUMKIF11
SCHEMBL18905723 0.86 NOTUM (0.42) HDAC4HDAC2HDAC8NOTUMKIF11
SCHEMBL18905645 0.85 GABRA1 (0.37) HDAC4HDAC2HDAC8NOTUMKIF11
SCHEMBL18905686 0.81 NOTUM (0.35) HDAC4HDAC2HDAC8NOTUMKIF11
SCHEMBL19343008 0.81 HSP90AA1 (0.39) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B
SCHEMBL18905680 0.80 TSHR (0.38) NOTUMKIF11OPRK1ALDH1A1L3MBTL1
SCHEMBL18905689 0.80 TSHR (0.38) NOTUMKIF11OPRK1ALDH1A1L3MBTL1
SCHEMBL16940872 0.80 HDAC4 (0.38) HDAC4HDAC2HDAC8NOTUMKIF11
SCHEMBL16940906 0.80 MAOA (0.43) HDAC4HDAC2HDAC8NOTUML3MBTL1
SCHEMBL19343016 0.80 HSP90AA1 (0.38) KIF11ALDH1A1L3MBTL1NPC1PLA2G1B

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
US-10541260-B2 Organic photoelectric conversion element, optical area sensor, imaging device, and imaging apparatus CANON KABUSHIKI KAISHA (JP) 2020-01-21 US disclosed
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-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-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 HDAC4 4595/4885HDAC2 2475/4885HDAC8 2214/4885

“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.