SCHEMBL7181177

SCHEMBL7181177

COc1cccc(CNC(C)c2cccc3ccccc23)c1O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ALOX12 P18054 1/20 0.48
CASR P41180 2/20 0.48
PKM P14618 2/20 0.47
ALDH1A1 P00352 3/20 0.47
GAA P10253 3/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
EGFR P00533 1/20 0.46
KRAS P01116 1/20 0.46

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
SCHEMBL9088241 1.00 MEN1 (0.50) MEN1KMT2AALOX12CASRPKM
SCHEMBL7206660 0.81 CASR (0.54) KMT2ACASRALDH1A1KDM4E
SCHEMBL9089450 0.81 CASR (0.54) KMT2ACASRALDH1A1KDM4E
SCHEMBL9088417 0.80 LMNA (0.58) MEN1KMT2AALOX12CASRPKM
SCHEMBL7183804 0.80 LMNA (0.58) MEN1KMT2AALOX12CASRPKM
SCHEMBL9087458 0.80 LMNA (0.58) MEN1KMT2AALOX12CASRPKM
SCHEMBL15131268 0.80 MEN1 (0.49) MEN1KMT2ACASRHTTEGFR
SCHEMBL15131121 0.78 CASR (0.54) MEN1KMT2ACASRHTTKRAS
SCHEMBL7179578 0.76 GAA (0.49) MEN1KMT2AALOX12CASRPKM
SCHEMBL3734404 0.76 CASR (0.54) KMT2ACASRALDH1A1HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5510519-A OPTICAL RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-23 US claimed
EP-0508307-B1 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL CO (JP) 1995-11-29 EP claimed
US-5298660-A Compound containing an assymetrical carbon atom SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US claimed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 EP claimed
EP-0933349-B1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL CO (JP) 2003-04-09 EP disclosed
US-20020123645-A1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL COMPANY, LIMITED 2002-09-05 US disclosed
EP-1236708-A1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-09-04 EP disclosed
US-6268525-B1 REACTING CHRYSANTHEMIC ACID HAVING TRANS ISOMER WITH OPTICALLY ACTIVE AMINE TO OPTICALLY RESOLVE CHRYSANTHEMIC ACID SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-07-31 US disclosed
EP-0933349-A1 Method for producing optically active chrysanthemic acid SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-08-04 EP disclosed
US-5510519-A OPTICAL RESOLUTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-04-23 US disclosed
EP-0508307-B1 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL CO (JP) 1995-11-29 EP disclosed
US-5298660-A Compound containing an assymetrical carbon atom SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-03-29 US disclosed
EP-0508307-A2 Optically active secondary amine compound; process for producing optically active secondary amine compound and process for producing optically active carboxylic acid by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-10-14 EP 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 (1 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-20020123645-A1 Method for producing optically active chrysanthemic acid ENO1, CYP8B1, CRYAA MEN1 1048/4885KMT2A 4324/4885ALOX12 307/4885

“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.