SCHEMBL17694497

SCHEMBL17694497

COc1cc(C(C)(C)C(=O)O)cc(C)c1Br

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.40
▸ LCK P06239 1/20 0.39
▸ FYN P06241 1/20 0.39
▸ MTNR1A P48039 2/20 0.38
▸ MTNR1B P49286 2/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ CYP2C9 P11712 2/20 0.36
▸ PDE3B Q13370 2/20 0.35
▸ PDE3A Q14432 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ TTR P02766 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C8 P10632 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ ADRA1A P35348 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
SCHEMBL15506126 0.91 LCK (0.42) CNR2LCKFYNMTNR1AMTNR1B
SCHEMBL17694499 0.81 CNR2 (0.63) CNR2ALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL16302410 0.78 POLB (0.40) CYP2C9PDE3BPDE3ASMN1; SMN2LMNA
SCHEMBL3753644 0.76 AKR1C3 (0.49) AKR1C3AKR1C2CYP2C9LMNAL3MBTL1
SCHEMBL15506129 0.74 CNR2 (0.66) CNR2ALDH1A1LMNAL3MBTL1CYP1A2
SCHEMBL602723 0.74 CA12 (0.52) AKR1C3AKR1C2CYP2C9ALDH1A1SMN1; SMN2
SCHEMBL15197099 0.74 CA12 (0.58) CNR2LCKFYNALDH1A1LMNA
SCHEMBL21872061 0.73 ALDH1A1 (0.53) LCKFYNAKR1C3AKR1C2CYP2C9
SCHEMBL29175621 0.72 CNR2 (0.46) CNR2ALDH1A1SMN1; SMN2LMNATSHR
SCHEMBL17694498 0.71 CASP1 (0.36) L3MBTL1

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 CNR2 1/4885LCK 2590/4885FYN 3628/4885

“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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