SCHEMBL12840244

SCHEMBL12840244

COc1ccc2c(c1)CCc1nc(NC(=O)Cc3ccc(O)cc3)c(C=C(C)C)nc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.43
ROCK2 O75116 4/20 0.42
CYP26A1 O43174 2/20 0.39
CYP24A1 Q07973 1/20 0.39
MAPT P10636 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
TP53 P04637 2/20 0.39
MIF P14174 1/20 0.39
LMNA P02545 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
HTT P42858 1/20 0.39
NLRP3 Q96P20 1/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL12840245 0.92 KMT2A (0.45) IKBKBROCK2MAPTSMN1; SMN2TP53
SCHEMBL12840252 0.92 MAPT (0.46) IKBKBROCK2MAPTSMN1; SMN2TP53
SCHEMBL12840250 0.92 MAPT (0.46) IKBKBROCK2MAPTSMN1; SMN2TP53
SCHEMBL13067599 0.92 IKBKB (0.43) IKBKBROCK2MAPTSMN1; SMN2TP53
SCHEMBL13068339 0.92 KMT2A (0.44) IKBKBROCK2MAPTSMN1; SMN2TP53
SCHEMBL13068308 0.91 AKR1B1 (0.37) IKBKBROCK2CYP26A1NLRP3ALDH1A1
SCHEMBL12838724 0.90 MAPK10 (0.46) IKBKBROCK2MAPTSMN1; SMN2TP53
SCHEMBL12840224 0.88 SMN1; SMN2 (0.35) IKBKBROCK2SMN1; SMN2MEN1KMT2A
SCHEMBL13067900 0.88 CDK2 (0.35) IKBKBROCK2CYP26A1SMN1; SMN2LMNA
SCHEMBL12840129 0.87 NLRP3 (0.40) ROCK2MAPTSMN1; SMN2TP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 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-20110070656-A1 Fluorescent Proteins CACYBP, CHLSN, LCP2 IKBKB 4405/4885ROCK2 4744/4885CYP26A1 3753/4885

“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.