SCHEMBL232343

SCHEMBL232343

[CH2]/C=C(/C)CC/C=C(/C)CCC=C(C)C

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.73
ALOX15 P16050 3/20 0.64
MAPT P10636 2/20 0.64
MEN1 O00255 2/20 0.64
CYP3A4 P08684 2/20 0.64
ALDH1A1 P00352 1/20 0.64
UGT1A1 P22309 1/20 0.64
SQLE Q14534 7/20 0.61
KDM4E B2RXH2 1/20 0.57
FNTA P49354 1/20 0.52
FNTB P49356 1/20 0.52

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
SCHEMBL10670740 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL25186 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL158029 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL11406885 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL73978 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL4954725 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL25185 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL16892794 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL11406888 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4
SCHEMBL28809163 1.00 KMT2A (0.73) KMT2AALOX15MAPTMEN1CYP3A4

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
CN-114867829-A Alpha-hydroxyisobutyrate compound and perfume composition 三菱瓦斯化学株式会社 2022-08-05 CN disclosed
US-8350060-B2 2-amino-bicyclo[3.1.0] hexane-2, 6-dicarboxylic ester derivative Taisho Pharamceutical Co., Ltd. (JP) 2013-01-08 US disclosed
US-8258133-B2 2-amino-bicyclo[3.1.0]hexane-2, 6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-09-04 US disclosed
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-02-02 US disclosed
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2012-01-05 US disclosed
US-8076502-B2 2-amino-bicyclo(3.1.0) hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICALS CO., LTD. (JP) 2011-12-13 US disclosed
US-7960579-B2 2-amino-bicyclo [3.1.0] hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20100298561-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-11-25 US disclosed
US-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2007-01-25 US disclosed
EP-1637517-A1 2-AMINOBICYCLO 3.1.0 HEXANE-2,6-DICARBOXYLIC ESTER DERIVATIVE Taisho Pharmaceutical Co. Ltd. (JP) 2006-03-22 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 (4 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-20070021394-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic ester derivative GRIN2C, GRIK4, GRIN2B KMT2A 2151/4885ALOX15 1284/4885MAPT 1391/4885
US-20120028982-A1 2-AMINO-BICYCLO[3.1.0]HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C KMT2A 1940/4885ALOX15 1280/4885MAPT 1395/4885
US-20100298561-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C KMT2A 1954/4885ALOX15 1304/4885MAPT 1364/4885
US-20120004232-A1 2-AMINO-BICYCLO(3.1.0) HEXANE-2, 6-DICARBOXYLIC ESTER DERIVATIVE GRIK4, GRIN2D, GRIN2C KMT2A 1954/4885ALOX15 1304/4885MAPT 1364/4885

“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.