SCHEMBL5095128

SCHEMBL5095128

CC(C)c1c[c]c(C(C)C)c(C(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
FABP3 P05413 2/20 0.38
FABP4 P15090 2/20 0.38
FABP5 Q01469 1/20 0.36
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL2694790 0.78 LMNA (0.43) GABRA1GABRB2FABP3FABP4
SCHEMBL28207929 0.77 GABRA1 (0.39) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL7229461 0.76 GABRA1 (0.47) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL28199640 0.67 GABRA1 (0.32) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL3899496 0.65 CA1 (0.35) GABRA1GABRB2CA1CA2
SCHEMBL3887814 0.65 CA1 (0.35) GABRA1GABRB2CA1CA2
SCHEMBL3890193 0.65 CA1 (0.35) GABRA1GABRB2CA1CA2
SCHEMBL8649694 0.65 LMNA (0.37)
SCHEMBL61153 0.64 LMNA (0.33) GABRA1GABRB2FABP3FABP4FABP5
SCHEMBL28324731 0.62 PTGS1 (0.42) GABRA1GABRB2CA1CA2

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
EP-2684863-B1 IODOARENE DERIVATIVE, METHOD FOR PRODUCING OPTICALLY ACTIVE SPIROLACTONE COMPOUND USING SAME, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLIZATION ADDUCT NAT UNIV CORP NAGOYA UNIV (JP) 2017-05-24 EP disclosed
US-9000216-B2 Iodoarene derivative, method for manufacturing optically active spirolactone compound by using the same, and method for manufacturing optically active cycloadduct NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-04-07 US disclosed
EP-2684863-A1 IODOARENE DERIVATIVE, METHOD FOR PRODUCING OPTICALLY ACTIVE SPIROLACTONE COMPOUND USING SAME, AND METHOD FOR PRODUCING OPTICALLY ACTIVE CYCLIZATION ADDUCT National University Corporation Nagoya University (JP) 2014-01-15 EP disclosed
US-20130338364-A1 IODOARENE DERIVATIVE, METHOD FOR MANUFACTURING OPTICALLY ACTIVE SPIROLACTONE COMPOUND BY USING THE SAME, AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CYCLOADDUCT NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2013-12-19 US disclosed
CN-103415501-A Iodoarene derivative, method for producing optically active spirolactone compound using same, and method for producing optically active cyclization adduct UNIV NAGOYA NAT UNIV CORP 2013-11-27 CN disclosed
US-7381746-B2 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-06-03 US disclosed
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative TAISHO PHARMACEUTICAL CO., LTD. (JP) 2006-06-29 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-20130338364-A1 IODOARENE DERIVATIVE, METHOD FOR MANUFACTURING OPTICALLY ACTIVE SPIROLACTONE COMPOUND BY USING THE SAME, AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CYCLOADDUCT ADRA1A, HIRA, REN GABRA1 435/4885GABRB2 1201/4885FABP3 279/4885
US-20060142388-A1 2-Aminobicyclo[3.1.0]hexane-2,6-dicarboxylic acid derivative GRIA3, GRIN3A, GRM3 GABRA1 67/4885GABRB2 75/4885FABP3 582/4885

“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.