SCHEMBL69340

SCHEMBL69340

Cc1cc[c]c2cc3ccccc3cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.41
ALDH1A1 P00352 6/20 0.41
CYP1A2 P05177 9/20 0.38
NQO1 P15559 1/20 0.38
HPGD P15428 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 2/20 0.35
TSHR P16473 2/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
CYP3A4 P08684 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ELANE P08246 1/20 0.33
HIF1A Q16665 1/20 0.33
CYP1B1 Q16678 1/20 0.33
NPC1 O15118 1/20 0.33
USP2 O75604 1/20 0.33
GLA P06280 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL1557069 0.96 CYP1A2 (0.39) CYP2A6ALDH1A1CYP1A2NQO1HPGD
SCHEMBL9559831 0.78 CYP1A2 (0.40) ALDH1A1CYP1A2NQO1TDP1MAPT
SCHEMBL2255827 0.78 ALDH1A1 (0.40) ALDH1A1NQO1HPGDHSD17B10TDP1
SCHEMBL2289465 0.78 CYP2A6 (0.35) CYP2A6ALDH1A1NQO1HSD17B10KDM4E
SCHEMBL15270642 0.77 UGT2B7 (0.35) CYP2A6CYP1A2NQO1HSD17B10TDP1
SCHEMBL2254662 0.77 MCL1 (0.39) ALDH1A1NQO1MAPTTSHRKDM4E
SCHEMBL2252041 0.77 NQO1 (0.60) CYP2A6ALDH1A1CYP1A2NQO1HPGD
SCHEMBL5749018 0.77 CYP1A2 (0.37) CYP2A6ALDH1A1CYP1A2NQO1HPGD
SCHEMBL2961398 0.77 NQO1 (0.33) ALDH1A1NQO1TDP1TSHR
SCHEMBL1168423 0.75 MEN1 (0.38) ALDH1A1CYP1A2HPGDHSD17B10MAPT

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 1237 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same LG CHEM, LTD. (KR) 2024-07-16 US claimed
EP-3378853-B1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING ELEMENT COMPRISING SAME LG CHEMICAL LTD (KR) 2024-04-17 EP claimed
CN-115557879-B Compound and organic electronic device comprising same 株式会社LG化学 2024-02-20 CN claimed
US-11877509-B2 Organic light-emitting element LG CHEM, LTD. 2024-01-16 US claimed
CN-115557879-A Compound and organic electronic device comprising the same 株式会社LG化学 2023-01-03 CN claimed
CN-108368077-B Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2022-07-05 CN claimed
CN-108699074-B Compound of spiro structure and organic electronic device comprising the same 株式会社LG化学 2021-12-14 CN claimed
CN-110121796-B Organic electroluminescent element and novel compound 出光兴产株式会社 2021-10-01 CN claimed
CN-107635985-B Compound and organic electronic element comprising same 株式会社LG化学 2021-09-28 CN claimed
EP-3388438-B1 SPIRO-STRUCTURED COMPOUND AND ORGANIC ELECTRONIC DEVICE COMPRISING SAME LG CHEMICAL LTD (KR) 2021-08-11 EP claimed
US-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME IDEMITSU KOSAN CO., LTD. (JP) 2010-11-04 US claimed
US-7763761-B2 Asymmetric pyrene derivative and organic electroluminescence device employing the same IDEMITSU KOSAN CO., LTD. (JP) 2010-07-27 US claimed
US-7560604-B2 Biphenyl derivative, material for organic electroluminescence device, and organic electroluminescence device using the same IDEMITSU KOSAN CO., LTD. (JP) 2009-07-14 US claimed
CN-101445422-A Organic electroluminescent material and application thereof UNIV TSINGHUA (CN) 2009-06-03 CN claimed
CN-101414661-A Organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
CN-101412907-A Organic electroluminescent material and its synthesis method and use CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
CN-101414662-A Organic electron transport and/or hole blocking material, and synthesis method and application thereof CHINESE ACAD TECH INST PHYSICS (CN) 2009-04-22 CN claimed
US-20070152565-A1 Light-emitting material for organic electroluminescent device, organic electroluminescent device using same, and material for organic electroluminescent device IDEMITSU KOSAN CO., LTD. (JP) 2007-07-05 US claimed
CN-1914293-A Light-emitting material for organic electroluminescent device, organic electroluminescent device using same, and material for organic electroluminescent device IDEMITSU KOSAN CO (JP) 2007-02-14 CN claimed
EP-1696015-A1 LIGHT-EMITTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE, ORGANIC ELECTROLUMINESCENT DEVICE USING SAME, AND MATERIAL FOR ORGANIC ELECTROLUMINESCENT DEVICE IDEMITSU KOSAN CO., LTD. (JP) 2006-08-30 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20100277063-A1 FLUORENE-BASED DERIVATIVE AND ORGANIC ELECTROLUMINESCENCE DEVICE EMPLOYING THE SAME LEF1, FLNA, AFF2 CYP2A6 1994/4885ALDH1A1 233/4885CYP1A2 585/4885
US-12041848-B2 Heterocyclic compound and organic light emitting element comprising same CRY1, CRY2, NR2E3 CYP2A6 419/4885ALDH1A1 242/4885CYP1A2 187/4885
US-11877509-B2 Organic light-emitting element CRY1, CRY2, NR2E3 CYP2A6 375/4885ALDH1A1 567/4885CYP1A2 513/4885
US-20070152565-A1 Light-emitting material for organic electroluminescent device, organic electroluminescent device using same, and material for organic electroluminescent device L1CAM, EBPL, APOL1 CYP2A6 3413/4885ALDH1A1 185/4885CYP1A2 1604/4885

“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.