SCHEMBL708994

SCHEMBL708994

CC(C)CC(C)c1ccccc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
CYP3A4 P08684 4/20 0.38
TSHR P16473 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
ALOX15 P16050 2/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
KDM4E B2RXH2 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAAR1 Q96RJ0 3/20 0.35
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
TDP1 Q9NUW8 2/20 0.34
LARS1 Q9P2J5 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HSD17B10 Q99714 2/20 0.32
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL22156385 0.82 TSHR (0.42) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL2386784 0.81 ALDH1A1 (0.36) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL16805956 0.81 TAAR1 (0.41) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL15468508 0.80 TRPA1 (0.35) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL7868990 0.80 TAAR1 (0.52) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL111291 0.80 TSHR (0.59) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL3820403 0.80 TSHR (0.59) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL3766807 0.79 TSHR (0.40) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL21081220 0.79 TSHR (0.40) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15
SCHEMBL10589371 0.78 TSHR (0.38) ALDH1A1CYP3A4TSHRSMN1; SMN2ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120137480-A High-toughness epoxy floor coating and preparation method thereof 上海正欧实业有限公司 2025-06-13 CN claimed
US-20230113346-A1 FUNGICIDAL COMPOSITIONS SYNGENTA CROP PROTECTION LLC (US) 2023-04-13 US claimed
US-20150366201-A1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE SYNGENTA PARTICIPATIONS AG (CH) 2015-12-24 US claimed
US-20150181877-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2015-07-02 US claimed
US-20130217745-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2013-08-22 US claimed
US-8236988-B2 Preparation of 2-(1,3-dimethylbutyl)aniline and other branched alkyl-substituted-anilines ALBEMARLE CORPORATION (US) 2012-08-07 US claimed
EP-2181088-B1 PREPARATION OF 2-(1,3-DIMETHYLBUTYL)ANILINE AND OTHER BRANCHED ALKYL-SUBSTITUTED-ANILINES ALBEMARLE CORP (US) 2011-10-12 EP claimed
US-20110237835-A1 PREPARATION OF 2-(1,3-DIMETHYLBUTYL)ANILINE AND OTHER BRANCHED ALKYL-SUBSTITUTED-ANILINES ALBEMARLE CORPORATION (US) 2011-09-29 US claimed
EP-1896423-B1 METHOD FOR PRODUCING CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2011-08-10 EP claimed
US-7968728-B2 Method for producing carboxamides BAYER CROPSCIENCE AG (DE) 2011-06-28 US claimed
US-20090054661-A1 Method for Producing Carboxamides BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-02-26 US claimed
US-20090054660-A1 METHOD FOR PRODUCING CARBOXAMIDES BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2009-02-26 US claimed
WO-2008131901-A1 FUNGICIDAL COMPOSITIONS SYNGENTA PARTICIPATIONS AG (CH) 2008-11-06 WO claimed
EP-1896423-A1 METHOD FOR PRODUCING CARBOXAMIDES Bayer CropScience AG (DE) 2008-03-12 EP claimed
WO-2006136288-A1 METHOD FOR PRODUCING CARBOXAMIDES BAYER CROPSCIENCE AG (DE) 2006-12-28 WO claimed
EP-1341757-B1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2006-09-20 EP claimed
US-7105565-B2 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. (US) 2006-09-12 US claimed
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses SYNGENTA CROP PROTECTION, INC. 2005-06-02 US claimed
EP-1341757-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES Syngenta Participations AG (CH) 2003-09-10 EP claimed
WO-2002038542-A1 PYRROLCARBOXAMIDES AND PYRROLCARBOTHIOAMIDES AND THEIR AGROCHEMICAL USES SYNGENTA PARTICIPATIONS AG (CH) 2002-05-16 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (8 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-20090054660-A1 METHOD FOR PRODUCING CARBOXAMIDES PFAS, AADAC, NAAA ALDH1A1 763/4885CYP3A4 8/4885TSHR 1911/4885
US-20150366201-A1 FUNGICIDAL COMPOSITIONS COMPRISING A CARBOXAMIDE CBR3, CBR1, C9 ALDH1A1 2067/4885CYP3A4 129/4885TSHR 1478/4885
US-20150181877-A1 FUNGICIDAL COMPOSITIONS CYP51A1, ERG28, DPM1 ALDH1A1 803/4885CYP3A4 130/4885TSHR 4306/4885
US-20050119130-A1 Pyrrolcarboxamides and pyrrolcarbothioamides and their agrochemical uses CBR3, PYCR1, CBR1 ALDH1A1 3130/4885CYP3A4 1167/4885TSHR 1762/4885
US-20110237835-A1 PREPARATION OF 2-(1,3-DIMETHYLBUTYL)ANILINE AND OTHER BRANCHED ALKYL-SUBSTITUTED-ANILINES AS3MT, ALKBH2, ALKBH1 ALDH1A1 482/4885CYP3A4 669/4885TSHR 3991/4885
US-20230113346-A1 FUNGICIDAL COMPOSITIONS BROX, RER1, BLVRB ALDH1A1 2185/4885CYP3A4 393/4885TSHR 2256/4885
US-20130217745-A1 FUNGICIDAL COMPOSITIONS CBR3, C1S, C9 ALDH1A1 2348/4885CYP3A4 121/4885TSHR 1756/4885
US-20090054661-A1 Method for Producing Carboxamides PFAS, AADAC, NAAA ALDH1A1 731/4885CYP3A4 6/4885TSHR 1947/4885

“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.