SCHEMBL17879401

SCHEMBL17879401

CCCCCCc1ccc(N(c2ccc(/C=C/c3ccc4cc(/C=C/c5ccc(N(c6ccc(CCCCCC)cc6)c6ccc(CCCCCC)cc6)cc5)ccc4c3)cc2)c2ccc(CCCCCC)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
LPL P06858 4/20 0.44
LIPG Q9Y5X9 4/20 0.44
TRPV1 Q8NER1 1/20 0.44
MGLL Q99685 1/20 0.44
ESR1 P03372 2/20 0.44
ADRA2A P08913 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
TACR2 P21452 2/20 0.44
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
SHBG P04278 1/20 0.44
TP53 P04637 1/20 0.44
HSPD1 P10809 1/20 0.44

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
SCHEMBL25622025 0.89 TRPM2 (0.40) CYP3A4CYP2D6CYP2C9LPLLIPG
SCHEMBL1594366 0.88 THRB (0.45) CYP3A4CYP2D6CYP2C9LPLLIPG
SCHEMBL4586322 0.88 THRB (0.45) CYP3A4CYP2D6CYP2C9LPLLIPG
SCHEMBL15465910 0.85 RELA (0.49) CYP3A4CYP2D6CYP2C9ESR1ADRA2A
SCHEMBL5551483 0.85 RELA (0.49) CYP3A4CYP2D6CYP2C9ESR1ADRA2A
SCHEMBL13108027 0.85 KCNH2 (0.50) CYP3A4CYP2D6CYP2C9LPLLIPG
SCHEMBL20202505 0.85 KCNH2 (0.50) CYP3A4CYP2D6CYP2C9LPLLIPG
SCHEMBL13020946 0.85 CYP3A4 (0.47) CYP3A4CYP2D6CYP2C9LPLLIPG
SCHEMBL29512000 0.85 APP (0.43) CYP3A4LPLLIPGTRPV1MGLL
SCHEMBL7718254 0.84 CYP3A4 (0.49) CYP3A4CYP2D6CYP2C9LPLLIPG

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-20240373749-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT KYULUX, INC. (JP) 2024-11-07 US disclosed
US-12089494-B2 Organic electroluminescence element KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2024-09-10 US disclosed
US-20230209847-A1 ORGANIC LIGHT EMITTING ELEMENT KYULUX, INC. (JP) 2023-06-29 US disclosed
US-20210159438-A1 QUANTUM DOT ARCHITECTURES FOR FLUORESCENCE DONOR-ASSISTED OLED DEVICES NANOCO TECHNOLOGIES LTD (GB) 2021-05-27 US disclosed
US-10782611-B2 Quantum dots, a composition or composite including the same, and en electronic device including the same SAMSUNG ELECTRONICS CO., LTD. (KR) 2020-09-22 US disclosed
US-20180239245-A1 QUANTUM DOTS, A COMPOSITION OR COMPOSITE INCLUDING THE SAME, AND EN ELECTRONIC DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2018-08-23 US disclosed
US-20160190478-A1 ORGANIC ELECTROLUMINESCENT DEVICE KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-06-30 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-20240373749-A1 ORGANIC ELECTROLUMINESCENCE ELEMENT LEF1, EMC1, EEA1 CYP3A4 2041/4885CYP2D6 3662/4885CYP2C9 2321/4885
US-12089494-B2 Organic electroluminescence element LEF1, EMC1, EEA1 CYP3A4 2041/4885CYP2D6 3662/4885CYP2C9 2321/4885

“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.