SCHEMBL1823501

SCHEMBL1823501

COC(C=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
MAPT P10636 1/20 0.51
HTT P42858 1/20 0.51
CA2 P00918 4/20 0.42
CA12 O43570 2/20 0.42
PPARG P37231 1/20 0.42
ENPP3 O14638 3/20 0.41
ENPP1 P22413 3/20 0.41
ENPP2 Q13822 3/20 0.41
MGAM O43451 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AKR1C3 P42330 1/20 0.41
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40

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
SCHEMBL1821702 0.87 TDP1 (0.51) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1826158 0.85 ALDH1A1 (0.48) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1825138 0.84 KMT2A (0.47) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1827430 0.82 ALDH1A1 (0.53) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1826787 0.81 ALDH1A1 (0.52) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1827991 0.81 MEN1 (0.58) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL4730901 0.80 ALDH1A1 (0.46) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL1822341 0.80 ALDH1A1 (0.44) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL9852204 0.79 MEN1 (0.60) ALDH1A1MEN1KMT2AMAPTHTT
SCHEMBL4126086 0.79 MEN1 (0.60) ALDH1A1MEN1KMT2AMAPTHTT

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
EP-2161254-B1 Intermediate for preparing a biaryl compound SUMITOMO CHEMICAL CO (JP) 2014-08-13 EP disclosed
EP-1481967-B1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS SUMITOMO CHEMICAL CO (JP) 2011-05-04 EP disclosed
US-7714157-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-05-11 US disclosed
EP-2161254-A1 Intermediate for preparing a biaryl compound Sumitomo Chemical Company, Limited (JP) 2010-03-10 EP disclosed
US-20070270603-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2007-11-22 US disclosed
US-7271280-B2 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-09-18 US disclosed
EP-1481967-A1 PROCESS FOR THE PREPARATION OF BIARYL COMPOUNDS Sumitomo Chemical Company, Limited (JP) 2004-12-01 EP disclosed
US-20040158093-A1 Process for preparing a biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED 2004-08-12 US 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 (2 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-20040158093-A1 Process for preparing a biaryl compound CYP1B1, REL, CYP2F1 ALDH1A1 1099/4885MEN1 421/4885KMT2A 1068/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ALDH1A1 1440/4885MEN1 183/4885KMT2A 1084/4885

“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.