SCHEMBL3023243

SCHEMBL3023243

C[C](C)Cc1ccc(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.51
ALOX5 P09917 2/20 0.50
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
PTGS1 P23219 1/20 0.49
SLC6A2 P23975 1/20 0.49
CYP2C19 P33261 1/20 0.49
PTGS2 P35354 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MTNR1A P48039 1/20 0.45
MTNR1B P49286 1/20 0.45
CYP4F2 P78329 1/20 0.45
CYP4A11 Q02928 1/20 0.45
PPARA Q07869 1/20 0.45
NR4A2 P43354 1/20 0.44

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
SCHEMBL3813849 0.85 PTGER1 (0.54) MAOBALOX5CYP1A2L3MBTL1NR4A2
SCHEMBL5446276 0.83 L3MBTL1 (0.53) MAOBALOX5L3MBTL1MTNR1AMTNR1B
SCHEMBL19339283 0.83 ALOX5 (0.54) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL7907404 0.83 ALOX5 (0.54) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL9840655 0.82 L3MBTL1 (0.49) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL10835005 0.82 HTR1A (0.61) LMNAL3MBTL1
SCHEMBL8000947 0.80 CYP4F2 (0.62) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL6247717 0.80 MAOB (0.60) MAOBCYP2C19L3MBTL1MTNR1AMTNR1B
SCHEMBL9774223 0.80 ALOX5 (0.54) MAOBALOX5LMNACYP1A2PTGS1
SCHEMBL31166868 0.80 MAOB (0.57) MAOBALOX5LMNACYP1A2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1957073-B1 MEDICINAL DRUG OTSUKA PHARMA CO LTD (JP) 2014-04-23 EP disclosed
EP-2612858-A1 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-07-10 EP disclosed
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. 2012-12-20 US disclosed
US-20120238750-A1 AROMATIC COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2012-09-20 US disclosed
US-8263599-B2 STAT3/5 activation inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-09-11 US disclosed
US-8236826-B2 Diarylether derivatives as antitumor agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-08-07 US disclosed
US-8188277-B2 Aromatic compounds for suppressing the generation of collagen OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2012-05-29 US disclosed
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-19 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 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 (5 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-20120238750-A1 AROMATIC COMPOUND CBR1, CBR3, CYP1A1 MAOB 765/4885ALOX5 1093/4885LMNA 2721/4885
US-20120322807-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MAOB 3601/4885ALOX5 1104/4885LMNA 4742/4885
US-20100210661-A1 STAT3/5 ACTIVATION INHIBITOR STAT3, JAK2, STAT1 MAOB 3239/4885ALOX5 304/4885LMNA 4683/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 MAOB 3143/4885ALOX5 1678/4885LMNA 4340/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 MAOB 402/4885ALOX5 796/4885LMNA 1091/4885

“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.