SCHEMBL1827290

SCHEMBL1827290

CC(=O)C(OCc1ccccc1)c1cccc(OS(=O)(=O)c2ccccc2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 1/20 0.42
FAAH O00519 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
SPHK2 Q9NRA0 1/20 0.40
SPHK1 Q9NYA1 1/20 0.40
MAOB P27338 1/20 0.40
F2 P00734 1/20 0.39
ALOX5 P09917 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
FFAR1 O14842 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL1823596 0.93 KMT2A (0.42) ADRB3SMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL1823272 0.90 FAAH (0.44) ADRB3FAAHSMN1; SMN2KMT2AALDH1A1
SCHEMBL1826784 0.89 PPARG (0.45) ADRB3FAAHSMN1; SMN2KMT2AMAOB
SCHEMBL1827324 0.87 TDP1 (0.44) SMN1; SMN2KMT2AALDH1A1MAOB
SCHEMBL1823861 0.84 ALDH1A1 (0.44) ADRB3FAAHSMN1; SMN2ALDH1A1MAOB
SCHEMBL1827095 0.84 P2RX7 (0.43) KMT2ALMNA
SCHEMBL3579723 0.83 ALDH1A1 (0.43) ADRB3FAAHSMN1; SMN2KMT2AALDH1A1
SCHEMBL1821432 0.83 ALDH1A1 (0.43) ADRB3FAAHSMN1; SMN2ALDH1A1MAOB
SCHEMBL1824470 0.81 ADRB3 (0.42) ADRB3FAAHSMN1; SMN2ALDH1A1MAOB
SCHEMBL1825793 0.81 P2RX7 (0.46) KMT2AALDH1A1LMNAPPARG

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 ADRB3 1280/4885FAAH 2017/4885SMN1; SMN2 2274/4885
US-20070270603-A1 Process for preparing a biaryl compound CYP4A11, CYP4B1, CYP51A1 ADRB3 1134/4885FAAH 1771/4885SMN1; SMN2 3216/4885

“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.