SCHEMBL561349

SCHEMBL561349

C(=C(c1ccccc1)c1ccccc1)c1ccccc1-c1ccccc1C=C(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.47
CYP11B2 P19099 2/20 0.47
TDP1 Q9NUW8 2/20 0.45
ESR1 P03372 1/20 0.43
PTGS2 P35354 3/20 0.40
ALDH1A1 P00352 4/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MCOLN3 Q8TDD5 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
DAO P14920 1/20 0.35
TSHR P16473 1/20 0.35
NAPRT Q6XQN6 1/20 0.35

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
SCHEMBL29801710 0.89 GRIN2D (0.44) CYP19A1CYP11B2TDP1ESR1PTGS2
SCHEMBL828196 0.89 GRIN2D (0.44) CYP19A1CYP11B2TDP1ESR1PTGS2
SCHEMBL4612468 0.87 CYP19A1 (0.52) CYP19A1CYP11B2TDP1ESR1PTGS2
SCHEMBL28304106 0.83 CYP19A1 (0.41) CYP19A1CYP11B2TDP1ESR1PTGS2
SCHEMBL27610901 0.81 CYP19A1 (0.40) CYP19A1CYP11B2TDP1ESR1PTGS2
SCHEMBL986595 0.81 ALDH1A1 (0.42) CYP19A1CYP11B2TDP1ESR1ALDH1A1
SCHEMBL27567095 0.79 TRPA1 (0.48) CYP19A1CYP11B2TDP1ESR1ALDH1A1
Bromide SCHEMBL29160890 0.78 CYP19A1 (0.54) CYP19A1CYP11B2TDP1ALDH1A1CYP1A2
SCHEMBL44860 0.78 CYP19A1 (0.38) CYP19A1CYP11B2TDP1ESR1PTGS2
SCHEMBL6481707 0.77 TDP1 (0.56) CYP19A1CYP11B2TDP1ESR1PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11133470-B2 Organic electroluminescent device SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-28 US disclosed
US-10777751-B2 Truxene derivative and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-15 US disclosed
US-10164197-B2 Organic electroluminescent device SAMSUNG DISPLAY CO., LTD. (KR) 2018-12-25 US disclosed
US-20170054080-A1 TRUXENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2017-02-23 US disclosed
US-20160380197-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-29 US disclosed
US-20160365515-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-12-15 US disclosed
US-20160099427-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
US-20160099418-A1 ORGANIC ELECTROLUMINESCENT DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2016-04-07 US disclosed
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same DONGWOO FINE-CHEM CO. LTD. (KR) 2012-02-09 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 (3 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-10777751-B2 Truxene derivative and organic electroluminescence device including the same TRHDE, TERF2, TELO2 CYP19A1 2282/4885CYP11B2 2353/4885TDP1 487/4885
US-20120032152-A1 Asymmetrical Aryl Amine Derivative for Organic Electroluminescence Devices, Method for Preparing Same, Organic Thin Film for Organic Electroluminescence Devices and Organic Electroluminescence Device Using Same AOC2, ALKBH2, ALKBH1 CYP19A1 328/4885CYP11B2 2081/4885TDP1 3953/4885
US-20170054080-A1 TRUXENE DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME TRHDE, TERF2, TELO2 CYP19A1 2282/4885CYP11B2 2353/4885TDP1 487/4885

“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.