SCHEMBL2137665

SCHEMBL2137665

CCCCOC(=O)c1ccccc1NN

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.73
L3MBTL1 Q9Y468 3/20 0.73
TDP1 Q9NUW8 3/20 0.73
ALDH1A1 P00352 9/20 0.68
HSD17B10 Q99714 2/20 0.68
MAPK1 P28482 4/20 0.66
CYP3A4 P08684 3/20 0.66
TP53 P04637 1/20 0.66
LMNA P02545 4/20 0.64
SMN1; SMN2 Q16637 4/20 0.63
CYP1A2 P05177 3/20 0.63
CYP2C19 P33261 3/20 0.63
KDM4E B2RXH2 3/20 0.60
POLB P06746 1/20 0.60
MAPT P10636 2/20 0.57
ADRA1D P25100 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
CYP2C9 P11712 1/20 0.50
PDE4D Q08499 1/20 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
SCHEMBL28039686 0.88 TSHR (0.69) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL7627192 0.85 TSHR (0.69) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
Dibutyl Phthalate SCHEMBL29353340 0.85 TSHR (1.00) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
Dibutyl Phthalate SCHEMBL2330224 0.85 TSHR (1.00) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
Dibutyl Phthalate SCHEMBL4596231 0.85 TSHR (1.00) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
Dibutyl Phthalate SCHEMBL24051 0.85 TSHR (1.00) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL21063175 0.84 TSHR (0.78) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL8106862 0.84 TSHR (0.67) TSHRL3MBTL1TDP1ALDH1A1HSD17B10
SCHEMBL3944845 0.83 TSHR (0.69) TSHRTDP1ALDH1A1HSD17B10TP53
Dibutyl Phthalate SCHEMBL25432527 0.83 TSHR (0.96) TSHRL3MBTL1TDP1ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8242278-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-08-14 US disclosed
US-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI (JP) 2012-04-26 US disclosed
EP-1473286-B1 PROCESS FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2009-11-04 EP disclosed
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND HAGIYA KOJI 2009-08-27 US disclosed
US-7554000-B2 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-06-30 US disclosed
EP-1590340-A1 INHIBITORS OF HISTONE DEACETYLASE Methylgene, Inc. (CA) 2005-11-02 EP disclosed
US-20050096471-A1 Process for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed
EP-1473286-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2004-11-03 EP disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 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 (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-20120101278-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR TSHR 915/4885L3MBTL1 4001/4885TDP1 4617/4885
US-20090216017-A1 PROCESS FOR PRODUCING BIARYL COMPOUND PPOX, CAT, TYR TSHR 915/4885L3MBTL1 4001/4885TDP1 4617/4885
US-20050096471-A1 Process for producing biaryl compound PPOX, CAT, TYR TSHR 915/4885L3MBTL1 4001/4885TDP1 4617/4885

“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.