SCHEMBL663504

SCHEMBL663504

Brc1ccc2c3c(cccc13)-c1ccccc1-2

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.63
HKDC1 Q2TB90 1/20 0.57
CRHBP P24387 1/20 0.56
CRHR2 Q13324 1/20 0.56
KEAP1 Q14145 1/20 0.56
NFE2L2 Q16236 1/20 0.56
CYP1B1 Q16678 13/20 0.53
ALDH1A1 P00352 2/20 0.49
POLB P06746 1/20 0.49
RXFP1 Q9HBX9 1/20 0.49
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48
CASP1 P29466 1/20 0.48
HIF1A Q16665 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PABPC1 P11940 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46

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
SCHEMBL30345509 1.00 CYP1A2 (0.63) CYP1A2HKDC1CRHBPCRHR2KEAP1
SCHEMBL19786188 0.91 CYP1A2 (0.55) CYP1A2HKDC1CRHBPCRHR2KEAP1
SCHEMBL29698127 0.88 PABPC1 (0.64) CYP1A2HKDC1CYP1B1ALDH1A1POLB
SCHEMBL29907914 0.88 PABPC1 (0.64) CYP1A2HKDC1CYP1B1ALDH1A1POLB
SCHEMBL1983882 0.88 PABPC1 (0.64) CYP1A2HKDC1CYP1B1ALDH1A1POLB
SCHEMBL17322323 0.88 PABPC1 (0.64) CYP1A2HKDC1CYP1B1ALDH1A1POLB
SCHEMBL20598536 0.87 CYP1A2 (0.61) CYP1A2HKDC1CRHBPCRHR2KEAP1
SCHEMBL2198488 0.86 CYP1A2 (0.59) CYP1A2HKDC1CRHBPCRHR2KEAP1
SCHEMBL2261886 0.86 CYP1A2 (0.50) CYP1A2HKDC1CRHBPCRHR2KEAP1
SCHEMBL30990840 0.86 CYP1A2 (0.59) CYP1A2HKDC1CRHBPCRHR2KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119064498-A Synchronous rapid detection method for 31 halogenated polycyclic aromatic hydrocarbons in complex cooked food matrix 广东工业大学 2024-12-03 CN claimed
CN-119039356-A Fluoranthene group-containing deep red to near infrared iridium (III) complex, preparation method and application thereof 西安交通大学 2024-11-29 CN claimed
CN-109020979-A A kind of electroluminescent organic material and preparation method and application with heterocycle structure 中节能万润股份有限公司 2018-12-18 CN claimed
CN-104262347-B Blue-light semiconductor material containing two pyrazolo pyrenes and preparation method thereof and the organic luminescent device being made up of the material 上海珂力恩特化学材料有限公司 2017-03-08 CN claimed
US-12577212-B2 Compound and an organic semiconducting layer, an organic electronic device and a display or lighting device comprising the same NOVALED GMBH (DE) 2026-03-17 US disclosed
US-12167689-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-12-10 US disclosed
CN-119064498-A Synchronous rapid detection method for 31 halogenated polycyclic aromatic hydrocarbons in complex cooked food matrix 广东工业大学 2024-12-03 CN disclosed
CN-119039356-A Fluoranthene group-containing deep red to near infrared iridium (III) complex, preparation method and application thereof 西安交通大学 2024-11-29 CN disclosed
US-20240158428-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-05-16 US disclosed
CN-113874366-B Heterocyclic compound and organic light-emitting device comprising same 株式会社LG化学 2024-04-26 CN disclosed
WO-2024071250-A1 DIAMONDOID COMPOUND AND METHOD FOR PRODUCING SAME 国立大学法人東海国立大学機構 2024-04-04 WO disclosed
US-11903311-B2 Heterocyclic compound and organic light emitting device comprising the same LG CHEM, LTD. (KR) 2024-02-13 US disclosed
WO-2007114038-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2007-10-11 WO disclosed
WO-2007114038-A1 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING THE COMPOUND CANON KABUSHIKI KAISHA (JP) 2007-10-11 WO disclosed
US-20070149815-A1 Organic light-emitting material and method for producing an organic material SONY CORPORATION (JP) 2007-06-28 US disclosed
CN-1950479-A Electroluminescent device CIBA SC HOLDING AG (CH) 2007-04-18 CN disclosed
CN-1906267-A Organic light emitting material and method for preparing organic material SONY CORP (JP) 2007-01-31 CN disclosed
EP-1743011-A1 ELECTROLUMINESCENT DEVICE CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-01-17 EP disclosed
WO-2005105950-A1 ELECTROLUMINESCENT DEVICE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-10 WO disclosed
US-20020022151-A1 Organic electroluminescent device NEC CORPORATION (JP) 2002-02-21 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 (5 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-20240158428-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES OCIAD1, OCIAD2, ICOSLG CYP1A2 1694/4885HKDC1 1340/4885CRHBP 3323/4885
US-20070149815-A1 Organic light-emitting material and method for producing an organic material CRY1, CRY2, IK CYP1A2 147/4885HKDC1 4348/4885CRHBP 3880/4885
US-12577212-B2 Compound and an organic semiconducting layer, an organic electronic device and a display or lighting device comprising the same NR2C2, NR3C2, SCO2 CYP1A2 256/4885HKDC1 2917/4885CRHBP 4147/4885
US-11903311-B2 Heterocyclic compound and organic light emitting device comprising the same CYP1A1, CYP1B1, CHRM1 CYP1A2 58/4885HKDC1 3507/4885CRHBP 3369/4885
US-12167689-B2 Heterocyclic compound and organic light emitting device comprising the same C1S, ARRB1, CRY1 CYP1A2 209/4885HKDC1 3909/4885CRHBP 1923/4885

“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.