SCHEMBL25811694

SCHEMBL25811694

CCc1ccc(Sc2ccc(CC)cc2Br)cc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.36
TRPA1 O75762 1/20 0.35
MAPT P10636 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
TP53 P04637 2/20 0.35
LMNA P02545 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2A6 P11509 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CA2 P00918 1/20 0.33
RAB9A P51151 1/20 0.33
TAAR1 Q96RJ0 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL8339928 0.77 TRPA1 (0.42) TRPA1MAPTSMN1; SMN2HTTTP53
SCHEMBL25812009 0.76 TP53 (0.43) PTGS2MAPTSMN1; SMN2TP53LMNA
SCHEMBL18159470 0.75 TP53 (0.48) SMN1; SMN2TP53LMNARXFP1CYP2A6
SCHEMBL576175 0.75 TP53 (0.48) SMN1; SMN2TP53LMNARXFP1CYP2A6
SCHEMBL3547431 0.71 HTR1A (0.45) MAPTSMN1; SMN2HTTTP53LMNA
SCHEMBL4798301 0.71 TRPA1 (0.46) TRPA1MAPTSMN1; SMN2TP53LMNA
SCHEMBL28593438 0.69 ALDH1A1 (0.42) TRPA1MAPTHTTTP53LMNA
SCHEMBL29779649 0.69 ALDH1A1 (0.42) TRPA1MAPTHTTTP53LMNA
SCHEMBL24941717 0.69 CYP1A2 (0.41) MAPTSMN1; SMN2TP53LMNARXFP1
SCHEMBL16933906 0.69 EGFR (0.42) MAPTSMN1; SMN2TP53LMNARXFP1

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-20230189636-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF DUK SAN NEOLUX CO., LTD. (KR) 2023-06-15 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-20230189636-A1 COMPOUND FOR ORGANIC ELECTRONIC ELEMENT, ORGANIC ELECTRONIC ELEMENT USING THE SAME, AND AN ELECTRONIC DEVICE THEREOF EMC1, EMC2, EPCAM PTGS2 4487/4885TRPA1 404/4885MAPT 804/4885

“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.