SCHEMBL2604948

SCHEMBL2604948

COc1ccc(/C=C/c2cccc(/C=C/c3ccc(OC)c4ccccc34)c2)c2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.68
MAPT P10636 1/20 0.68
CHAT P28329 1/20 0.57
APP P05067 4/20 0.54
CYP1A1 P04798 5/20 0.54
CYP1A2 P05177 5/20 0.54
CYP1B1 Q16678 5/20 0.54
NFE2L2 Q16236 3/20 0.54
CYP19A1 P11511 2/20 0.53
ABCB1 P08183 1/20 0.52
BACE1 P56817 1/20 0.52
TRPA1 O75762 1/20 0.50
CAPN1 P07384 1/20 0.49
CTSL P07711 1/20 0.49
CTSB P07858 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 0.90 LMNA (0.77) LMNAMAPTCHATCYP1A1CYP1A2
SCHEMBL2604952 0.88 MAPT (0.79) LMNAMAPTCHATAPPCYP1A1
SCHEMBL11670549 0.81 MAPT (0.60) LMNAMAPTCHATABCB1BACE1
SCHEMBL11671491 0.81 MAPT (0.60) LMNAMAPTCHATABCB1BACE1
SCHEMBL2604937 0.81 MAPT (1.00) LMNAMAPTCHATCYP1A1CYP1A2
SCHEMBL7915398 0.80 MAPT (0.63) LMNAMAPTCHATCYP1A1CYP1A2
SCHEMBL7915395 0.80 MAPT (0.63) LMNAMAPTCHATCYP1A1CYP1A2
SCHEMBL12611159 0.80 LMNA (0.59) LMNAMAPTCHATCYP1A1CYP1A2
SCHEMBL11819366 0.79 MAPT (0.61) LMNAMAPTCHATABCB1BACE1
SCHEMBL11821979 0.79 MAPT (0.61) LMNAMAPTCHATABCB1BACE1

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.