SCHEMBL12839014

SCHEMBL12839014

O=C(CCCc1ccccc1)Nc1ncc(-c2ccc(O)cc2)nc1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.54
MAPK1 P28482 1/20 0.48
HDAC1 Q13547 2/20 0.48
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
CYP2C8 P10632 1/20 0.45
CYP2C9 P11712 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
MAPKAPK2 P49137 1/20 0.45
CETP P11597 1/20 0.45
PLTP P55058 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL12839385 1.00 TRPV1 (0.54) TRPV1MAPK1HDAC1ALDH1A1GAA
SCHEMBL12838453 0.99 TRPV1 (0.55) TRPV1MAPK1HDAC1ALDH1A1GAA
SCHEMBL12839393 0.94 ALDH1A1 (0.51) TRPV1HDAC1ALDH1A1GAASMN1; SMN2
SCHEMBL12839030 0.94 TRPV1 (0.50) TRPV1MAPK1HDAC1ALDH1A1GAA
SCHEMBL12839412 0.93 HCAR2 (0.52) TRPV1MAPK1CYP2C8CYP2C9HCAR2
SCHEMBL12839024 0.93 HCAR2 (0.52) TRPV1MAPK1CYP2C8CYP2C9HCAR2
SCHEMBL12840429 0.91 ALDH1A1 (0.48) TRPV1MAPK1ALDH1A1SMN1; SMN2NPC1
SCHEMBL12839210 0.90 ALDH1A1 (0.46) TRPV1HDAC1ALDH1A1GAASMN1; SMN2
SCHEMBL12839557 0.88 TRPV1 (0.48) TRPV1MAPK1HDAC1ALDH1A1GAA
SCHEMBL12840478 0.88 ALDH1A1 (0.51) MAPK1HDAC1ALDH1A1SMN1; SMN2NPC1

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 TRPV1 890/4885MAPK1 4830/4885HDAC1 2815/4885

“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.