SCHEMBL21704897

SCHEMBL21704897

c1ccc(-c2c3cccc4c5ccccc5c(c34)c3c4ccc5c6ccc7c8c(ccc(c9ccc(c23)c4c95)c86)-c2c-7c(-c3ccccn3)c3cc4ccccc4cc3c2-c2ccccn2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.35
ESR2 Q92731 5/20 0.35
MAPK1 P28482 3/20 0.35
LMNA P02545 3/20 0.35
HSD17B10 Q99714 2/20 0.35
HPGD P15428 2/20 0.35
KMT2A Q03164 2/20 0.35
TSHR P16473 1/20 0.35
MEN1 O00255 1/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
KDM4E B2RXH2 3/20 0.33
NPC1 O15118 3/20 0.33
MAPT P10636 3/20 0.33
TP53 P04637 2/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
PKM P14618 1/20 0.33
CCR1 P32246 2/20 0.33
CCR5 P51681 2/20 0.33
CCR8 P51685 2/20 0.33

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
SCHEMBL21705108 0.86 MAPK1 (0.34) MAPK1LMNAHSD17B10HPGDKMT2A
SCHEMBL3437781 0.83 BRD4 (0.37) MAPK1LMNAHSD17B10HPGDKMT2A
SCHEMBL14805255 0.81 TGFBR1 (0.40) ESR1ESR2MAPK1LMNAHSD17B10
SCHEMBL21705051 0.81 GPR84 (0.35) ESR1ESR2HPGDKDM4EALDH1A1
SCHEMBL21704893 0.81 CYP1A2 (0.37) ESR1ESR2AHRCYP1A2
SCHEMBL12546752 0.81 LMNA (0.38) ESR1ESR2MAPK1LMNAHSD17B10
SCHEMBL14820950 0.81 KDM4E (0.36) MAPK1LMNAHSD17B10HPGDSMN1; SMN2
SCHEMBL15385298 0.80 MAPK1 (0.33) MAPK1LMNAHSD17B10HPGDKMT2A
SCHEMBL12682324 0.80 MAPK1 (0.34) MAPK1LMNAHSD17B10HPGDTSHR
SCHEMBL21704887 0.80 CYP1A2 (0.36) ESR1ESR2MAPK1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object CANON KABUSHIKI KAISHA (JP) 2022-06-28 US disclosed
US-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT CANON KABUSHIKI KAISHA (JP) 2020-02-13 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 (2 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-20200048171-A1 ORGANIC COMPOUND, ORGANIC LIGHT-EMITTING ELEMENT, DISPLAY DEVICE, IMAGING DEVICE, ELECTRONIC DEVICE, ILLUMINATION DEVICE, AND MOVING OBJECT OCIAD1, L1CAM, SPIN4 ESR1 13/4885ESR2 258/4885MAPK1 883/4885
US-11370733-B2 Organic compound, organic light-emitting element, display device, imaging device, electronic device, illumination device, and moving object OCIAD1, L1CAM, SPIN4 ESR1 13/4885ESR2 258/4885MAPK1 883/4885

“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.