SCHEMBL18905693

SCHEMBL18905693

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

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNH2 Q12809 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30
HIF1A Q16665 1/20 0.30
NPC1 O15118 1/20 0.30
PLA2G1B P04054 1/20 0.30
NFKB1 P19838 1/20 0.30
CASP3 P42574 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SENP8 Q96LD8 1/20 0.30
SENP7 Q9BQF6 1/20 0.30
SENP6 Q9GZR1 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL18905726 0.88 MGLL (0.41) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18905747 0.88 MGLL (0.41) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18905704 0.82 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18905702 0.81 MGLL (0.38) ALDH1A1CYP2D6CYP2C9HIF1ANPC1
SCHEMBL18905748 0.81 MGLL (0.38) ALDH1A1CYP2D6CYP2C9HIF1ANPC1
SCHEMBL18905679 0.80 CA9 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18905684 0.80 CA9 (0.39) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL18905732 0.79 CA9 (0.33) CYP2C9
SCHEMBL18905707 0.78 MGLL (0.35) ALDH1A1HPGDALOX15TDP1NPC1
SCHEMBL18905686 0.78 NOTUM (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 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 ALDH1A1 460/4885HPGD 1843/4885ALOX15 2044/4885

“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.