SCHEMBL2604932

SCHEMBL2604932

COc1ccc(/C=C/c2ccccc2)c2ccccc12

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.77
MAPT P10636 2/20 0.77
CHAT P28329 2/20 0.63
NFE2L2 Q16236 2/20 0.62
TRPA1 O75762 2/20 0.62
CYP1A1 P04798 3/20 0.58
CYP1A2 P05177 3/20 0.58
CYP1B1 Q16678 3/20 0.58
TUBB1 Q9H4B7 2/20 0.51
TUBB4A P04350 1/20 0.51
TUBB P07437 1/20 0.51
TUBA3C P0DPH7 1/20 0.51
TUBA1B P68363 1/20 0.51
TUBA4A P68366 1/20 0.51
TUBB4B P68371 1/20 0.51
TUBB3 Q13509 1/20 0.51
TUBB2A Q13885 1/20 0.51
TUBB8 Q3ZCM7 1/20 0.51
TUBA3E Q6PEY2 1/20 0.51
TUBA1A Q71U36 1/20 0.51

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
SCHEMBL2604952 0.95 MAPT (0.79) LMNAMAPTCHATNFE2L2TRPA1
SCHEMBL2604948 0.90 LMNA (0.68) LMNAMAPTCHATNFE2L2TRPA1
SCHEMBL2604937 0.87 MAPT (1.00) LMNAMAPTCHATNFE2L2TRPA1
SCHEMBL14422439 0.85 LMNA (0.57) LMNAMAPTCHATNFE2L2TRPA1
SCHEMBL13264713 0.84 LMNA (0.65) LMNAMAPTCHATNFE2L2TRPA1
SCHEMBL13897091 0.84 MAPT (0.60) LMNAMAPTCHATNFE2L2TRPA1
SCHEMBL7915395 0.83 MAPT (0.63) LMNAMAPTCHATNFE2L2TRPA1
SCHEMBL7915398 0.83 MAPT (0.63) LMNAMAPTCHATNFE2L2TRPA1
SCHEMBL11215153 0.82 CHAT (0.55) LMNAMAPTCHATNFE2L2TRPA1
SCHEMBL11259417 0.82 CHAT (0.55) LMNAMAPTCHATNFE2L2TRPA1

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 LMNA 1999/4885MAPT 4/4885CHAT 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.