SCHEMBL708904

SCHEMBL708904

CC(C)CC(C)c1ccccc1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.42
ALDH1A1 P00352 3/20 0.38
CYP2C19 P33261 2/20 0.38
ANPEP P15144 2/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 2/20 0.38
TSHR P16473 2/20 0.38
CYP2C9 P11712 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
GRM2 Q14416 1/20 0.35
HSD11B1 P28845 1/20 0.33
ALOX12 P18054 1/20 0.32
MAPK1 P28482 1/20 0.32
HIF1A Q16665 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GABRA1 P14867 1/20 0.32
GABRB2 P47870 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
SCHEMBL3708329 0.80 TSHR (0.59) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL29573338 0.80 TSHR (0.59) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL10456467 0.80 HTT (0.43) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL16268433 0.79 HTT (0.44) HTTALDH1A1CYP2C19ANPEPCYP3A4
SCHEMBL6680371 0.78 HTT (0.50) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL2401582 0.78 HTT (0.46) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL5847586 0.78 TAAR1 (0.50) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL23730871 0.77 HTT (0.41) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL19122188 0.75 CYP2C19 (0.46) HTTALDH1A1CYP2C19CYP3A4ALOX15
SCHEMBL17755321 0.75 CYP2C19 (0.46) HTTALDH1A1CYP2C19CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8124786-B2 Mental-catalyzed process for preparation of substituted pyrazolecarboxamides BAYER CROPSCIENCE AG (DE) 2012-02-28 US disclosed
US-8124786-B2 Mental-catalyzed process for preparation of substituted pyrazolecarboxamides BAYER CROPSCIENCE AG (DE) 2012-02-28 US disclosed
US-8124786-B2 Mental-catalyzed process for preparation of substituted pyrazolecarboxamides BAYER CROPSCIENCE AG (DE) 2012-02-28 US disclosed
EP-2046754-B1 METHOD FOR PRODUCING ALKYLANILIDES FROM HALOBENZENE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-04-21 EP disclosed
US-20100056786-A1 Method for Producing Alkylanilides from Halobenzene Derivatives BAYER CROPSCIENCE AG (DE) 2010-03-04 US disclosed
US-20100056786-A1 Method for Producing Alkylanilides from Halobenzene Derivatives BAYER CROPSCIENCE AG (DE) 2010-03-04 US disclosed
US-20100056786-A1 Method for Producing Alkylanilides from Halobenzene Derivatives BAYER CROPSCIENCE AG (DE) 2010-03-04 US disclosed
EP-2046754-A2 METHOD FOR PRODUCING ALKYLANILIDES FROM HALOBENZENE DERIVATIVES Bayer CropScience AG (DE) 2009-04-15 EP disclosed
WO-2008006575-A2 METHOD FOR PRODUCING ALKYLANILIDES FROM HALOBENZENE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-01-17 WO disclosed
WO-2008006575-A2 METHOD FOR PRODUCING ALKYLANILIDES FROM HALOBENZENE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2008-01-17 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-20100056786-A1 Method for Producing Alkylanilides from Halobenzene Derivatives AADAC, CYP4Z1, CYP4X1 HTT 759/4885ALDH1A1 926/4885CYP2C19 106/4885

“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.