Sugi Predict

Sugi Predict / Compounds / SCHEMBL446420

SCHEMBL446420

SCHEMBL446420

Cc1cc(-c2ccccc2)cc(C)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 1/20 0.48
▸ CRHR2 Q13324 1/20 0.48
▸ ALDH1A1 P00352 6/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ BRD4 O60885 1/20 0.44
▸ KDM4E B2RXH2 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ESR2 Q92731 1/20 0.39
▸ AKR1C4 P17516 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ TSHR P16473 2/20 0.37
▸ SLC22A2 O15244 1/20 0.37
▸ SLC22A1 O15245 1/20 0.37

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
SCHEMBL9009487 0.84 ALDH1A1 (0.47) ALDH1A1MAPK1TSHRCYP3A4TDP1
SCHEMBL22118508 0.82 PSMB5 (0.43) CRHBPCRHR2ALDH1A1MAPK1CYP2A6
SCHEMBL21888200 0.81 L3MBTL1 (0.57) ALDH1A1MAPK1KDM4EHTTSMN1; SMN2
SCHEMBL19473598 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2RAB9ANPC1
SCHEMBL19431477 0.79 ALDH1A1 (0.50) CRHBPCRHR2ALDH1A1BRD4KDM4E
SCHEMBL24608790 0.78 CRHBP (0.47) CRHBPCRHR2ALDH1A1MAPK1BRD4
SCHEMBL15678829 0.78 CRHBP (0.47) CRHBPCRHR2ALDH1A1MAPK1BRD4
SCHEMBL458236 0.76 ALDH1A1 (0.48) CRHBPCRHR2ALDH1A1MAPK1BRD4
SCHEMBL15262456 0.76 MAPT (0.50) SMN1; SMN2RAB9ANPC1MAPT
SCHEMBL16200431 0.76 ALDH1A1 (0.48) CRHBPCRHR2ALDH1A1MAPK1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230380285-A1 COMPOUNDS COMPRISING HETEROATOMS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-11-23 — — US disclosed
US-20230380285-A1 COMPOUNDS COMPRISING HETEROATOMS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-11-23 — — US disclosed
EP-4265624-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME Lg Chem, Ltd. (KR) 2023-10-25 — — EP disclosed
US-20230157171-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 — — US disclosed
US-20230157171-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES UDC IRELAND LIMITED (IE) 2023-05-18 — — US disclosed
CN-115989725-A Compound and organic light emitting device including the same 株式会社LG化学 2023-04-18 — — CN disclosed
CN-110776513-B Organic compound and application thereof 烟台显华化工科技有限公司 2022-09-27 — — CN disclosed
CN-115066427-A Compound, organic electroluminescent device and display device SK株式会社 2022-09-16 — — CN disclosed
WO-2022139513-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-30 — — WO disclosed
WO-2022139513-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2022-06-30 — — WO disclosed
US-8828908-B2 Herbicidally active bicyclic 1,3-dione compounds SYNGENTA LIMITED (GB) 2014-09-09 — — US disclosed
EP-2429979-A1 NOVEL HERBICIDES Syngenta Limited (GB) 2012-03-21 — — EP disclosed
US-20120065066-A1 NOVEL HERBICIDES SYNGENTA CROP PROTECTION LLC (US) 2012-03-15 — — US disclosed
US-8044206-B2 Nitrogen—containing heterocyclic derivatives having 2,6-disubstituted styryl ASTELLAS PHARMA INC. (JP) 2011-10-25 — — US disclosed
WO-2010133232-A1 NOVEL HERBICIDES SYNGENTA LIMITED (GB) 2010-11-25 — — WO disclosed
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA CROP PROTECTION, INC. (US) 2010-08-26 — — US disclosed
EP-2155645-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS Syngenta Limited (GB) 2010-02-24 — — EP disclosed
WO-2008145336-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS SYNGENTA LIMITED (GB) 2008-12-04 — — WO disclosed
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl ASTELLAS PHARMA INC. AND KOTOBUKI PHARMACEUTICAL CO., LTD. 2007-05-03 — — US disclosed
EP-1602645-A1 NITROGENOUS HETEROCYCLIC DERIVATIVE HAVING 2,6-DISUBSTITUTED STYRYL Astellas Pharma Inc. (JP) 2005-12-07 — — EP 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-20120065066-A1 NOVEL HERBICIDES DDT, CYP4X1, CYP1B1 CRHBP 3551/4885CRHR2 2583/4885ALDH1A1 14/4885
US-20230157171-A1 CYCLIC COMPOUNDS FOR ORGANIC ELECTROLUMINESCENT DEVICES OR10J3, CYCS, VDAC2 CRHBP 2906/4885CRHR2 3954/4885ALDH1A1 508/4885
US-20070099956-A1 Nitrogen-containing heterocyclic derivatives having 2, 6-disubstituted styryl SCN1B, CACNA1B, SCN2A CRHBP 3251/4885CRHR2 3285/4885ALDH1A1 2549/4885
US-20230380285-A1 COMPOUNDS COMPRISING HETEROATOMS FOR ORGANIC ELECTROLUMINESCENT DEVICES VDAC3, VDAC2, OR10J3 CRHBP 3765/4885CRHR2 4163/4885ALDH1A1 853/4885
US-20100216638-A1 HERBICIDALLY ACTIVE BICYCLIC 1,3-DIONE COMPOUNDS DDT, CYP1B1, CYP1A1 CRHBP 4104/4885CRHR2 3500/4885ALDH1A1 22/4885

“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.