SCHEMBL1823596

SCHEMBL1823596

CC(=O)C(OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
G6PD P11413 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
LMNA P02545 2/20 0.41
P2RX7 Q99572 4/20 0.40
DHODH Q02127 1/20 0.40
GPR17 Q13304 1/20 0.40
AKR1C3 P42330 1/20 0.40
AKR1C2 P52895 1/20 0.40
ALDH1A1 P00352 2/20 0.39
PPARG P37231 1/20 0.39
ENPP2 Q13822 1/20 0.39
ADRB3 P13945 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL1827290 0.93 ADRB3 (0.42) KMT2ALMNAALDH1A1PPARGADRB3
SCHEMBL1827095 0.91 P2RX7 (0.43) KMT2AMEN1MAPTGAAG6PD
SCHEMBL1825793 0.88 P2RX7 (0.46) KMT2AMEN1MAPTLMNAP2RX7
SCHEMBL1826784 0.85 PPARG (0.45) KMT2APPARGADRB3SMN1; SMN2
SCHEMBL1827190 0.84 MEN1 (0.43) KMT2AMEN1MAPTGAAG6PD
SCHEMBL1823272 0.84 FAAH (0.44) KMT2AMEN1ALDH1A1ADRB3SMN1; SMN2
SCHEMBL1826096 0.83 KMT2A (0.45) KMT2AMEN1MAPTGAAG6PD
SCHEMBL1827639 0.82 GPR17 (0.44) KMT2AMEN1MAPTGAAG6PD
SCHEMBL1825591 0.82 PSEN1 (0.52) KMT2AMEN1MAPTGAAG6PD
SCHEMBL1827333 0.82 MEN1 (0.40) KMT2AMEN1MAPTGAAG6PD

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 KMT2A 1068/4885MEN1 421/4885MAPT 4712/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885MEN1 183/4885MAPT 2237/4885

“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.