SCHEMBL959273

SCHEMBL959273

Cc1cc(Br)cc(C)c1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPK1 P28482 1/20 0.44
NQO2 P16083 1/20 0.42
DCTPP1 Q9H773 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
PPARG P37231 2/20 0.39
PRNP P04156 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NR2E3 Q9Y5X4 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
PPARA Q07869 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
ERBB2 P04626 1/20 0.38
CHEK1 O14757 1/20 0.38
AKT2 P31751 1/20 0.38
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL27986023 0.87 ESR2 (0.46) ALDH1A1MAPK1NQO2PPARGPRNP
SCHEMBL20873646 0.82 MAPT (0.43) ALDH1A1TDP1PPARGPPARALMNA
SCHEMBL1133458 0.80 PSMB5 (0.46) ALDH1A1PPARGPPARALMNAMAPT
SCHEMBL21888213 0.80 L3MBTL1 (0.53) ALDH1A1MAPK1NQO2TDP1LMNA
SCHEMBL20257712 0.78 ALDH1A1 (0.45) ALDH1A1MAPK1NQO2LMNAESR2
Hydrogen Sulfide SCHEMBL21381346 0.78 PSMB5 (0.44) ALDH1A1PPARGPPARALMNAMAPT
SCHEMBL13176919 0.78 CYP1A2 (0.46) ALDH1A1TDP1PPARGPPARALMNA
Lithium SCHEMBL30636805 0.78 PSMB5 (0.44) ALDH1A1PPARGPPARALMNAMAPT
SCHEMBL1696315 0.77 ALDH1A1 (0.33) ALDH1A1NQO2TDP1
SCHEMBL1513560 0.76 ESR2 (0.57) ALDH1A1PPARGPPARALMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116685593-B Compound and organic electroluminescent device comprising the same 出光兴产株式会社 2025-05-13 CN disclosed
US-20240244972-A1 COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND IDEMITSU KOSAN CO., LTC. (JP) 2024-07-18 US disclosed
US-20240244972-A1 COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND IDEMITSU KOSAN CO., LTC. (JP) 2024-07-18 US disclosed
CN-116685593-A Compound and organic electroluminescent device comprising the same 出光兴产株式会社 2023-09-01 CN disclosed
CN-112601753-A Fluorine substituted polycyclic aromatic compound 学校法人关西学院 2021-04-02 CN disclosed
CN-110483670-A The method of metallocene complex and production olefin polymer JAPAN POLYPROPYLENE CORP 2019-11-22 CN disclosed
CN-106132975-B Metallocene complex and process for producing olefin polymer 日本聚丙烯株式会社 2019-11-08 CN disclosed
EP-3121187-B1 METALLOCENE COMPLEX AND METHOD FOR MANUFACTURING OLEFIN POLYMER JAPAN POLYPROPYLENE CORP (JP) 2018-10-10 EP disclosed
US-9963522-B2 Metallocene complex and method for producing olefin polymer JAPAN POLYPROPYLENE CORPORATION (JP) 2018-05-08 US disclosed
US-20170081431-A1 METALLOCENE COMPLEX AND METHOD FOR PRODUCING OLEFIN POLYMER JAPAN POLYPROPYLENE CORPORATION (JP) 2017-03-23 US disclosed
EP-3121187-A1 METALLOCENE COMPLEX AND METHOD FOR MANUFACTURING OLEFIN POLYMER Japan Polypropylene Corporation (JP) 2017-01-25 EP disclosed
CN-106132975-A metallocene complex and process for producing olefin polymer 日本聚丙烯株式会社 2016-11-16 CN disclosed
US-7868030-B2 FBPase inhibitors for diabetes HOFFMANN-LA ROCHE INC. (US) 2011-01-11 US disclosed
EP-2032548-A1 THIAZOLE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-11 EP disclosed
WO-2007137962-A1 THIAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-12-06 WO disclosed
US-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents HOFFMANN-LA ROCHE INC. 2007-12-06 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-20070281979-A1 Fructose-1,6-bisphosphatase (FBPase) inhibitors, such as N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]3(difluoromethoxy)benzenesulfonamide, used as antidiabetic agents FBP1, PFKFB1, PFKFB3 ALDH1A1 565/4885MAPK1 1042/4885NQO2 228/4885
US-20170081431-A1 METALLOCENE COMPLEX AND METHOD FOR PRODUCING OLEFIN POLYMER PPOX, ALOX12, PORCN ALDH1A1 1301/4885MAPK1 2819/4885NQO2 4497/4885
US-20240244972-A1 COMPOUND AND AN ORGANIC ELECTROLUMINESCENCE DEVICE COMPRISING THE COMPOUND DDT, ODC1, AOC2 ALDH1A1 31/4885MAPK1 1838/4885NQO2 980/4885

“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.