SCHEMBL1823478

SCHEMBL1823478

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
GPR17 Q13304 3/20 0.47
ALDH1A1 P00352 4/20 0.46
MAPT P10636 3/20 0.45
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
G6PD P11413 1/20 0.45
HPGD P15428 2/20 0.45
LMNA P02545 1/20 0.45
MAOB P27338 1/20 0.43
ENPP2 Q13822 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
DHODH Q02127 1/20 0.42
P2RY2 P41231 2/20 0.41
DRD2 P14416 1/20 0.40
DRD1 P21728 1/20 0.40
DRD4 P21917 1/20 0.40
DRD5 P21918 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
SCHEMBL1823779 0.89 ALDH1A1 (0.46) GPR17ALDH1A1MAPTLMNAMAOB
SCHEMBL1824778 0.87 GPR17 (0.47) KMT2AMEN1GPR17ALDH1A1MAPT
SCHEMBL1823066 0.87 MEN1 (0.47) KMT2AMEN1GPR17ALDH1A1MAPT
SCHEMBL6845532 0.86 ALDH1A1 (0.41) KMT2AMEN1GPR17ALDH1A1MAPT
SCHEMBL1823209 0.85 MEN1 (0.50) KMT2AMEN1GPR17ALDH1A1MAPT
SCHEMBL1826096 0.85 KMT2A (0.45) KMT2AMEN1GPR17ALDH1A1MAPT
SCHEMBL1827639 0.84 GPR17 (0.44) KMT2AMEN1GPR17ALDH1A1MAPT
SCHEMBL1827022 0.83 KMT2A (0.52) KMT2AMEN1ALDH1A1MAPTLMNA
SCHEMBL1825096 0.82 KMT2A (0.45) KMT2AMEN1GPR17ALDH1A1MAPT
SCHEMBL1825224 0.82 ALDH1A1 (0.43) KMT2AMEN1GPR17ALDH1A1MAPT

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 7 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
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 421/4885GPR17 4205/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 KMT2A 1084/4885MEN1 183/4885GPR17 4459/4885

“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.