SCHEMBL11943531

SCHEMBL11943531

CC(C)c1ccn2ccc(C(C)C)c2c1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
GABRA1 P14867 1/20 0.32
GABRB2 P47870 1/20 0.32
TRPA1 O75762 1/20 0.32
PTGS1 P23219 1/20 0.32
CACNA1C Q13936 1/20 0.32
FABP3 P05413 2/20 0.31
FABP4 P15090 2/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ALOX12 P18054 1/20 0.31
HTT P42858 1/20 0.31
HIF1A Q16665 1/20 0.31
HTR7 P34969 1/20 0.31
FABP5 Q01469 1/20 0.31

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
SCHEMBL10148466 0.76 LMNA (0.32) LMNAHTR7
SCHEMBL19240143 0.75 HTR2C (0.37) ALDH1A1GAAHTT
SCHEMBL10123632 0.73 ALDH1A1 (0.34) ALDH1A1
SCHEMBL2945626 0.72 GABRA1 (0.37) LMNAGABRA1GABRB2PTGS1ALDH1A1
SCHEMBL27112069 0.71 FABP3 (0.32) LMNAFABP3FABP4
SCHEMBL20128451 0.69 LRRK2 (0.36) LMNATRPA1PTGS1CACNA1CALDH1A1
SCHEMBL20356834 0.69 PIK3CD (0.31)
SCHEMBL26596835 0.69 FYN (0.32)
SCHEMBL22597896 0.69 PARP15 (0.33) ALDH1A1
SCHEMBL13086281 0.68 LMNA (0.34) LMNATRPA1PTGS1CACNA1CALDH1A1

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-8232274-B2 Pyridazinone derivatives useful as glucan synthase inhibitors ALBANY MOLECULAR RESEARCH, INC. (US) 2012-07-31 US disclosed
US-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors SCHERING CORPORATION AND ALBANY MOLECULAR RESEARCH, INC. 2009-07-02 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-20090170861-A1 Pyridazinone Derivatives Useful as Glucan Synthase Inhibitors MAN2A1, GYS2, MANBA LMNA 929/4885GABRA1 3236/4885GABRB2 3650/4885

“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.