SCHEMBL25411983

SCHEMBL25411983

COc1ccc(Nc2ccc(NC(C)CC(C)C)cc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.67
MAPK1 P28482 3/20 0.67
CYP3A4 P08684 2/20 0.67
ALOX15 P16050 2/20 0.67
TSHR P16473 2/20 0.67
HIF1A Q16665 2/20 0.67
HSD17B10 Q99714 2/20 0.67
ALOX12 P18054 1/20 0.67
MAPT P10636 5/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
GAA P10253 4/20 0.59
KDM4E B2RXH2 2/20 0.59
RAB9A P51151 2/20 0.59
THRB P10828 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
NPC1 O15118 1/20 0.59
RECQL P46063 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50

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
SCHEMBL11527791 0.95 ALDH1A1 (0.58) ALDH1A1MAPK1CYP3A4ALOX15TSHR
SCHEMBL9933293 0.87 ALDH1A1 (0.85) ALDH1A1MAPK1CYP3A4ALOX15TSHR
SCHEMBL9934561 0.82 ALDH1A1 (0.76) ALDH1A1MAPK1CYP3A4ALOX15TSHR
SCHEMBL144947 0.81 ALDH1A1 (0.73) ALDH1A1MAPK1CYP3A4ALOX15TSHR
SCHEMBL15476044 0.80 ALDH1A1 (1.00) ALDH1A1MAPK1CYP3A4ALOX15TSHR
SCHEMBL31215174 0.80 ALDH1A1 (1.00) ALDH1A1MAPK1CYP3A4ALOX15TSHR
SCHEMBL2720733 0.80 ALDH1A1 (0.73) ALDH1A1MAPK1CYP3A4ALOX15TSHR
SCHEMBL39447 0.80 ALDH1A1 (1.00) ALDH1A1MAPK1CYP3A4ALOX15TSHR
SCHEMBL21154593 0.80 MAPT (0.71) ALDH1A1MAPK1CYP3A4ALOX15TSHR
SCHEMBL11531506 0.79 L3MBTL1 (0.60) ALDH1A1MAPK1CYP3A4ALOX15TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116348311-B Compound, rubber mixture containing said compound, vehicle tyre having at least one component comprising said rubber mixture, method for producing said compound and use of said compound as an ageing-protecting agent and/or an antioxidant and/or an antiozonant and/or a dye 大陆轮胎德国有限公司 2024-11-19 CN disclosed
EP-4222138-B1 COMPOUND, RUBBER MIXTURE CONTAINING THE COMPOUND, VEHICLE TIRE WHICH HAS AT LEAST ONE COMPONENT COMPRISING THE RUBBER MIXTURE, METHOD FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGING PROTECTION AGENT AND/OR ANTIOXIDANT AGENT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2024-11-06 EP disclosed
US-20230312874-A1 COMPOUND, RUBBER MIXTURE CONTAINING THE COMPOUND, VEHICLE TIRE WHICH HAS AT LEAST ONE COMPONENT COMPRISING THE RUBBER MIXTURE, METHOD FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGING PROTECTION AGENT AND/OR ANTIOXIDANT AGENT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-10-05 US disclosed
US-20230312874-A1 COMPOUND, RUBBER MIXTURE CONTAINING THE COMPOUND, VEHICLE TIRE WHICH HAS AT LEAST ONE COMPONENT COMPRISING THE RUBBER MIXTURE, METHOD FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGING PROTECTION AGENT AND/OR ANTIOXIDANT AGENT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-10-05 US disclosed
US-20230312874-A1 COMPOUND, RUBBER MIXTURE CONTAINING THE COMPOUND, VEHICLE TIRE WHICH HAS AT LEAST ONE COMPONENT COMPRISING THE RUBBER MIXTURE, METHOD FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGING PROTECTION AGENT AND/OR ANTIOXIDANT AGENT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2023-10-05 US disclosed
EP-4222138-A1 COMPOUND, RUBBER MIXTURE CONTAINING THE COMPOUND, VEHICLE TIRE WHICH HAS AT LEAST ONE COMPONENT COMPRISING THE RUBBER MIXTURE, METHOD FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGING PROTECTION AGENT AND/OR ANTIOXIDANT AGENT AND/OR ANTIOZONANT AND/OR DYE Continental Reifen Deutschland GmbH (DE) 2023-08-09 EP disclosed
CN-116348311-A Compound, rubber mixture containing said compound, vehicle tyre having at least one component comprising said rubber mixture, method for producing said compound and use of said compound as an ageing-protecting agent and/or an antioxidant and/or an antiozonant and/or a dye 大陆轮胎德国有限公司 2023-06-27 CN disclosed
WO-2022069002-A1 COMPOUND, RUBBER MIXTURE CONTAINING THE COMPOUND, VEHICLE TIRE WHICH HAS AT LEAST ONE COMPONENT COMPRISING THE RUBBER MIXTURE, METHOD FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGING PROTECTION AGENT AND/OR ANTIOXIDANT AGENT AND/OR ANTIOZONANT AND/OR DYE CONTINENTAL REIFEN DEUTSCHLAND GMBH (DE) 2022-04-07 WO 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 (1 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-20230312874-A1 COMPOUND, RUBBER MIXTURE CONTAINING THE COMPOUND, VEHICLE TIRE WHICH HAS AT LEAST ONE COMPONENT COMPRISING THE RUBBER MIXTURE, METHOD FOR PRODUCING THE COMPOUND, AND USE OF THE COMPOUND AS AN AGING PROTECTION AGENT AND/OR ANTIOXIDANT AGENT AND/OR ANTIOZONANT AND/OR DYE POT1, RIF1, TERT ALDH1A1 1949/4885MAPK1 2373/4885CYP3A4 832/4885

“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.