SCHEMBL12839735

SCHEMBL12839735

Cc1nc2c(nc1NC(=O)c1ccccc1)CCc1cc(O)ccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.45
P2RX3 P56373 2/20 0.44
CYP1A2 P05177 3/20 0.41
CYP3A4 P08684 3/20 0.41
CYP2C19 P33261 3/20 0.41
GAA P10253 2/20 0.41
HCAR2 Q8TDS4 3/20 0.41
CYP2C9 P11712 4/20 0.40
CYP2C8 P10632 1/20 0.40
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
HPGD P15428 3/20 0.39
MEN1 O00255 2/20 0.39
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.39
APAF1 O14727 1/20 0.39
MAPK14 Q16539 4/20 0.39
HTT P42858 2/20 0.39

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
SCHEMBL12840216 0.88 CYP1A2 (0.43) P2RX3CYP1A2CYP3A4CYP2C19GAA
SCHEMBL12840289 0.88 CYP1A2 (0.45) P2RX3CYP1A2CYP3A4CYP2C19GAA
SCHEMBL12840502 0.87 CYP1A2 (0.54) P2RX3CYP1A2CYP3A4CYP2C19GAA
SCHEMBL12839433 0.87 TYR (0.42) TYRCYP1A2CYP3A4CYP2C19GAA
SCHEMBL12838667 0.86 TYR (0.41) TYRHCAR2CYP2C9CYP2C8NPC1
SCHEMBL12840149 0.86 HCAR2 (0.42) TYRP2RX3CYP1A2CYP3A4CYP2C19
SCHEMBL12838713 0.86 MAPT (0.56) CYP1A2CYP3A4CYP2C19CYP2C9NPC1
SCHEMBL12839737 0.86 FGFR1 (0.43) TYRCYP1A2CYP3A4CYP2C19GAA
SCHEMBL12838665 0.85 TSHR (0.43) HCAR2CYP2C9CYP2C8NPC1RAB9A
SCHEMBL12840126 0.84 HCAR2 (0.42) TYRP2RX3CYP1A2CYP3A4CYP2C19

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-20110070656-A1 Fluorescent Proteins JNC CORPORATION (JP) 2011-03-24 US disclosed
EP-1666488-B1 FLUORESCENT PROTEIN CHISSO CORP (JP) 2010-11-17 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 (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 TYR 898/4885P2RX3 2140/4885CYP1A2 4017/4885

“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.