SCHEMBL17694502

SCHEMBL17694502

COc1cc(CCl)cc(C)c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TTR P02766 2/20 0.40
▸ CA2 P00918 2/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ HTR2A P28223 2/20 0.33
▸ HTR2C P28335 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ AMY1A P0DUB6 1/20 0.33
▸ TAAR1 Q96RJ0 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA4 P22748 1/20 0.33
▸ CA6 P23280 1/20 0.33

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
SCHEMBL1613447 0.88 TTR (0.44) TTRCA2PTGS2L3MBTL1HTR2A
SCHEMBL17694496 0.85 HSD17B10 (0.46) CA2PTGS2ABL1RIN1MAPT
SCHEMBL14870346 0.80 TTR (0.42) TTRCA2PTGS2SMN1; SMN2HTR2A
SCHEMBL17694500 0.77 PIK3CD (0.34) CA2PTGS2NQO2MAPTNPSR1
SCHEMBL27180542 0.74 MAP3K14 (0.44) SMN1; SMN2L3MBTL1NQO2MAPTNPSR1
SCHEMBL31681741 0.73 CA2 (0.50) CA2PTGS2SMN1; SMN2HTR2AHTR2C
SCHEMBL28323262 0.73 ACHE (0.52) SMN1; SMN2L3MBTL1NQO2MAPTNPSR1
SCHEMBL1706883 0.73 PTGS2 (0.64) PTGS2HTR2AHTR2CMAPTHTR2B
SCHEMBL10878672 0.73 TTR (0.47) TTRCA2PTGS2HTR2AHTR2C
SCHEMBL4597547 0.73 DHFR (0.41) TTRPTGS2HTR2AHTR2CMAPT

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-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof NORTHEASTERN UNIVERSITY (US) 2016-04-21 — — 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-20160108016-A1 Novel Cannabinergic Compounds and Uses Thereof CNR2, CNR1, GPR18 TTR 2791/4885CA2 2277/4885PTGS2 615/4885

“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.

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