SCHEMBL3300286

SCHEMBL3300286

COc1ccc(Cc2ccccc2)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.58
APLNR P35414 1/20 0.56
ALDH1A1 P00352 3/20 0.56
KDM4E B2RXH2 2/20 0.53
MAPT P10636 1/20 0.53
MTNR1A P48039 1/20 0.52
MTNR1B P49286 1/20 0.52
TSHR P16473 2/20 0.52
GPR55 Q9Y2T6 2/20 0.51

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
SCHEMBL27880581 0.90 LTA4H (0.51) LTA4HAPLNRALDH1A1KDM4EMAPT
SCHEMBL5612174 0.89 APLNR (0.59) LTA4HAPLNRALDH1A1MAPTTSHR
SCHEMBL27563776 0.87 MAOB (0.57) LTA4HALDH1A1MTNR1AMTNR1B
SCHEMBL11288852 0.86 LTA4H (0.58) LTA4HALDH1A1MTNR1AMTNR1BGPR55
SCHEMBL145084 0.85 APLNR (0.68) APLNRALDH1A1MAPTTSHR
SCHEMBL11399635 0.84 KDM4E (0.59) APLNRALDH1A1KDM4EMAPT
SCHEMBL28745363 0.83 MTNR1A (0.57) LTA4HALDH1A1KDM4EMAPTMTNR1A
SCHEMBL5612171 0.83 APLNR (0.53) LTA4HAPLNRALDH1A1MAPTTSHR
SCHEMBL9291320 0.83 MAPK1 (0.61) APLNRALDH1A1MAPTTSHR
SCHEMBL11292183 0.82 LTA4H (0.58) LTA4HALDH1A1MTNR1AMTNR1BGPR55

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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US claimed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US claimed
CN-115894284-B New compound separated from Taiwan pseudogolden moss and preparation method and application thereof 河北中医学院 2023-05-30 CN disclosed
US-20160280693-A1 ACTIVATORS OF CLASS I HISTONE DEACETLYASES (HDACS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2016-09-29 US disclosed
US-9115053-B2 Activators of class I histone deacetlyases (HDACS) and uses thereof MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2015-08-25 US disclosed
US-8492384-B2 Imidazolylalkylcarbonyl derivatives as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2013-07-23 US disclosed
US-20130096129-A1 ACTIVATORS OF CLASS I HISTONE DEACETLYASES (HDACS) AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2013-04-18 US disclosed
US-8299072-B2 Pyrazolylmethylamine compounds as calcium channel modulators and preparation method thereof KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2012-10-30 US disclosed
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2010-04-15 US disclosed
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-12-31 US disclosed
EP-1361225-B1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS SANKYO CO (JP) 2007-11-07 EP disclosed
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses SANKYO COMPANY, LIMITED (JP) 2004-03-18 US disclosed
EP-1377577-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES Sankyo Company Limited (JP) 2004-01-07 EP disclosed
EP-1361225-A1 COMPOUNDS SUBSTITUTED WITH BICYCLIC AMINO GROUPS Sankyo Company, Limited (JP) 2003-11-12 EP disclosed
EP-1352906-A1 COMPOSITIONS FOR PREVENTION OR TREATMENT OF HEPATOPATHY Sankyo Company, Limited (JP) 2003-10-15 EP disclosed
EP-1243589-A1 Heteroaryl-substituted pyrrole derivates, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2002-09-25 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 EP disclosed
EP-0057740-A1 Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1982-08-18 EP disclosed
US-4275906-A Pressure sensitive recording sheets DIAMOND SHAMROCK CORPORATION (US) 1981-06-30 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-20160280693-A1 ACTIVATORS OF CLASS I HISTONE DEACETLYASES (HDACS) AND USES THEREOF TDP1, PDS5A, CDK5 LTA4H 2948/4885APLNR 4849/4885ALDH1A1 2598/4885
US-20130096129-A1 ACTIVATORS OF CLASS I HISTONE DEACETLYASES (HDACS) AND USES THEREOF HDAC1, HDAC11, HDAC6 LTA4H 2311/4885APLNR 4170/4885ALDH1A1 283/4885
US-20040054173-A1 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses IL2, IL1B, IL1A LTA4H 995/4885APLNR 1391/4885ALDH1A1 1023/4885
US-20090325979-A1 NOVEL IMIDAZOLYLALKYLCARBONYL DERIVATIVES AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1B, CACNA1C, ORAI1 LTA4H 1184/4885APLNR 1563/4885ALDH1A1 3972/4885
US-20100094006-A1 NOVEL PYRAZOLYLMETHYLAMINE COMPOUNDS AS CALCIUM CHANNEL MODULATORS AND PREPARATION METHOD THEREOF CACNA1I, CACNA1C, ORAI1 LTA4H 1458/4885APLNR 762/4885ALDH1A1 4048/4885

“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.