SCHEMBL31399264

SCHEMBL31399264

O=c1c2cccc3ccc4cccc1c4c32

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.62
HSD17B10 Q99714 4/20 0.62
HPGD P15428 4/20 0.62
CYP1A2 P05177 3/20 0.62
THRB P10828 1/20 0.62
TSHR P16473 4/20 0.53
CYP3A4 P08684 4/20 0.53
CYP1A1 P04798 1/20 0.53
CYP1B1 Q16678 1/20 0.53
MCL1 Q07820 2/20 0.48
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
MAOA P21397 1/20 0.48
ACHE P22303 1/20 0.48
AHR P35869 1/20 0.48
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CES2 O00748 1/20 0.46
BCHE P06276 1/20 0.46
CES1 P23141 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
SCHEMBL5400415 1.00 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL2043406 0.94 ALDH1A1 (0.62) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL7369249 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL29353862 0.85 ALDH1A1 (0.46) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL30236746 0.82 ALDH1A1 (0.88) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL1004330 0.82 NPSR1 (0.45) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL355190 0.80 MCL1 (0.47) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL20668962 0.80 ALDH1A1 (0.52) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL4853824 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10HPGDCYP1A2THRB
SCHEMBL31177932 0.79 ALDH1A1 (0.72) ALDH1A1HSD17B10HPGDCYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250368828-A1 Process for Producing Carbon Blacks with Reduced Content of Oxy-Polycyclic Aromatic Hydrocarbons (Oxy-PAHS) Utilizing Supercritical Fluid Extraction ORION ENG CARBONS IP GMBH & CO KG (DE) 2025-12-04 US disclosed
WO-2025124901-A1 PROCESS FOR PRODUCING PURIFIED CARBON BLACKS WITH REDUCED CONTENT OF OXIDIZED POLYCYCLIC AROMATIC HYDROCARBONS ORION ENGINEERED CARBONS IP GMBH & CO. KG (DE) 2025-06-19 WO disclosed
WO-2025098667-A1 ALKALINE CARBON BLACK, PREPARATION THEREOF AND COMPOSITIONS AND ARTICLES CONTAINING THE SAME ORION ENGINEERED CARBONS IP GMBH & CO. KG (DE) 2025-05-15 WO disclosed
EP-4549505-A1 ALKALINE CARBON BLACK, PREPARATION THEREOF AND COMPOSITIONS AND ARTICLES CONTAINING THE SAME Orion Engineered Carbons GmbH (DE) 2025-05-07 EP disclosed
CN-119452045-A Method for producing carbon black with reduced content of oxygen-containing polycyclic aromatic hydrocarbon (oxygen-containing PAH) by supercritical fluid extraction 欧励隆工程炭知识产权有限两合公司 2025-02-14 CN disclosed