SCHEMBL2604952

SCHEMBL2604952

COc1ccc(/C=C/c2ccc(/C=C/c3ccc(OC)c4ccccc34)cc2)c2ccccc12

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.79
LMNA P02545 2/20 0.79
CHAT P28329 1/20 0.65
NFE2L2 Q16236 3/20 0.55
TRPA1 O75762 1/20 0.55
CYP1A1 P04798 5/20 0.53
CYP1A2 P05177 5/20 0.53
CYP1B1 Q16678 5/20 0.53
CYP19A1 P11511 2/20 0.53
CAPN1 P07384 1/20 0.52
CTSL P07711 1/20 0.52
CTSB P07858 1/20 0.52
ABCB1 P08183 1/20 0.52
BACE1 P56817 1/20 0.52
MEN1 O00255 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TUBB1 Q9H4B7 1/20 0.49
NQO2 P16083 1/20 0.49

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
SCHEMBL2604932 0.95 LMNA (0.77) MAPTLMNACHATNFE2L2TRPA1
SCHEMBL13264713 0.89 LMNA (0.65) MAPTLMNACHATNFE2L2TRPA1
SCHEMBL2604937 0.89 MAPT (1.00) MAPTLMNACHATNFE2L2TRPA1
SCHEMBL2604948 0.88 LMNA (0.68) MAPTLMNACHATNFE2L2TRPA1
SCHEMBL13897091 0.85 MAPT (0.60) MAPTLMNACHATNFE2L2TRPA1
SCHEMBL7915398 0.85 MAPT (0.63) MAPTLMNACHATNFE2L2TRPA1
SCHEMBL7915395 0.85 MAPT (0.63) MAPTLMNACHATNFE2L2TRPA1
SCHEMBL11819366 0.83 MAPT (0.61) MAPTLMNACHATCAPN1CTSL
SCHEMBL11821979 0.83 MAPT (0.61) MAPTLMNACHATCAPN1CTSL
SCHEMBL11671491 0.82 MAPT (0.60) MAPTLMNACHATCAPN1CTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-8158380-B2 Imaging agents for protein misfolding NEW YORK UNIVERSITY (US) 2012-04-17 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 US disclosed
US-20100279340-A1 Imaging agents for protein misfolding NYU (US) 2010-11-04 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-20100279340-A1 Imaging agents for protein misfolding APBA1, APP, SPG11 MAPT 4/4885LMNA 1999/4885CHAT 3608/4885

“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.