SCHEMBL15040307

SCHEMBL15040307

CC(C)c1cccc(C(C)C)c1NPNc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
LMNA P02545 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.46
FAAH O00519 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 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
SCHEMBL812723 0.77 GABRA1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL6180997 0.75 GABRA1 (0.50) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL15040306 0.74 L3MBTL1 (0.52) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL8159500 0.73 SMN1; SMN2 (0.50) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL17636899 0.73 SMN1; SMN2 (0.50) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL3116485 0.73 GABRA1 (0.48) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL10037121 0.73 GABRA1 (0.48) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL22767461 0.73 GABRA1 (0.54) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL28370355 0.73 GABRA1 (0.48) GABRA1LMNAGABRG2GABRB3GABRB2
SCHEMBL3206761 0.73 GABRA1 (0.48) GABRA1LMNAGABRG2GABRB3GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889805-B2 Carboxylate metal complex and catalyst for olefin polymerization SHOWA DENKO K.K. (JP) 2014-11-18 US disclosed
US-20130158223-A1 CARBOXYLATE METAL COMPLEX AND CATALYST FOR OLEFIN POLYMERIZATION THE UNIVERSITY OF TOKYO (JP) 2013-06-20 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 (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-20130158223-A1 CARBOXYLATE METAL COMPLEX AND CATALYST FOR OLEFIN POLYMERIZATION ODC1, AOC2, SCO2 GABRA1 3946/4885LMNA 4802/4885GABRG2 4038/4885

“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.