SCHEMBL13784398

SCHEMBL13784398

COc1cc(OCc2ccccc2)ccc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.55
ALOX5 P09917 1/20 0.54
PDGFRB P09619 1/20 0.48
PDGFRA P16234 1/20 0.48
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
ALOX12 P18054 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
LMNA P02545 2/20 0.46
HRH3 Q9Y5N1 1/20 0.46
CYP1A2 P05177 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
RECQL P46063 1/20 0.46
KMT2A Q03164 1/20 0.46
BCHE P06276 1/20 0.45

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
SCHEMBL683906 0.91 ALOX5 (0.57) MAOBALOX5MAPTGAASMN1; SMN2
SCHEMBL4656889 0.85 L3MBTL1 (0.49) MAOBL3MBTL1LMNAPTGS1PTGS2
SCHEMBL27010416 0.84 ALOX5 (0.61) MAOBALOX5MAPTGAASMN1; SMN2
SCHEMBL26549169 0.82 LTA4H (0.51) MAOBMAPTALDH1A1ALOX12GAA
SCHEMBL17208245 0.81 ALOX5 (0.57) MAOBALOX5L3MBTL1LMNAHRH3
SCHEMBL11974257 0.81 MAOB (0.57) MAOBALOX5L3MBTL1LMNAHRH3
SCHEMBL7744533 0.81 MAOB (0.51) MAOBALOX5MAPTALDH1A1ALOX12
SCHEMBL18623122 0.81 MAOB (0.62) MAOBALOX5PDGFRBPDGFRAMAPT
SCHEMBL2090976 0.81 MAOB (0.62) MAOBALOX5PDGFRBPDGFRAMAPT
SCHEMBL15472489 0.80 ALOX5 (0.56) MAOBALOX5MAPTGAASMN1; SMN2

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
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
US-9751897-B1 Derivatives of Bodipy OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-09-05 US disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
US-20170233414-A1 DERIVATIVES OF BODIPY OREGON HEALTH & SCIENCE UNIVERSITY (US) 2017-08-17 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2009-07-16 US disclosed
US-7504402-B2 Triazole derivatives as inhibitors of 11-β-hydroxysteroid dehydrogenase-1 MERCK & CO., INC. (US) 2009-03-17 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-20170233414-A1 DERIVATIVES OF BODIPY NPC1L1, NPC1, ABCB4 MAOB 1280/4885ALOX5 3707/4885PDGFRB 956/4885
US-20090181994-A1 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 HSD11B1, HSD17B1, HSD3B1 MAOB 1498/4885ALOX5 744/4885PDGFRB 2666/4885

“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.