SCHEMBL18905697

SCHEMBL18905697

CC(C)(C)c1cc(N2/C(=C3/N(c4cc(C(C)(C)C)cc(C(C)(C)C)c4)c4ccc(-c5ccccc5)cc4N3c3cc(C(C)(C)C)cc(C(C)(C)C)c3)N(c3cc(C(C)(C)C)cc(C(C)(C)C)c3)c3cc(-c4ccccc4)ccc32)cc(C(C)(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.38
RXRA P19793 7/20 0.38
RXRG P48443 3/20 0.37
KIF11 P52732 2/20 0.35
HSD17B2 P37059 1/20 0.33
DHODH Q02127 1/20 0.33
ASIC1 P78348 1/20 0.33
FAAH O00519 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSP90AA1 P07900 1/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
ATM Q13315 1/20 0.32
MGLL Q99685 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
SCHEMBL18911862 0.89 RXRA (0.34) RXRBRXRARXRGKIF11HSD17B2
SCHEMBL18905645 0.84 GABRA1 (0.37) RXRBRXRARXRGKIF11ALDH1A1
SCHEMBL20062920 0.82 RAB9A (0.38) RXRBRXRAALDH1A1ATM
SCHEMBL18905690 0.81 KIF11 (0.40) KIF11DHODHASIC1ALDH1A1
SCHEMBL18905704 0.80 ALDH1A1 (0.35) ALDH1A1PKM
SCHEMBL18905746 0.80 ALDH1A1 (0.43) FAAHALDH1A1HSP90AA1PKMHTT
SCHEMBL18365102 0.77 RXRB (0.35) RXRBRXRARXRGKIF11HSD17B2
SCHEMBL19343014 0.77 HSP90AA1 (0.39) KIF11ALDH1A1HSP90AA1
SCHEMBL20062913 0.77 GAA (0.36) ALDH1A1HTT
SCHEMBL18905675 0.76 KCNH2 (0.35)

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 3 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

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 RXRB 1774/4885RXRA 1417/4885RXRG 2030/4885

“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.