SCHEMBL9892874

SCHEMBL9892874

C=C(CO)c1cc(CC)on1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
TP53 P04637 2/20 0.38
SMYD3 Q9H7B4 3/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 5/20 0.34
NPC1 O15118 3/20 0.34
HPGD P15428 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
SCHEMBL9892871 0.80 THRB (0.42) THRBSMN1; SMN2TP53SMYD3MAPT
SCHEMBL2131964 0.72 TP53 (0.50) THRBSMN1; SMN2TP53SMYD3MAPT
SCHEMBL11533407 0.71 SMN1; SMN2 (0.49) THRBSMN1; SMN2TP53SMYD3MAPT
SCHEMBL2619071 0.71 THRB (0.48) THRBSMN1; SMN2TP53SMYD3MAPT
SCHEMBL16571478 0.71 THRB (0.41) THRBSMN1; SMN2TP53SMYD3MAPT
SCHEMBL2373540 0.71 SMN1; SMN2 (0.49) THRBSMN1; SMN2TP53SMYD3MAPT
SCHEMBL2759543 0.69
SCHEMBL18000496 0.69
SCHEMBL8299663 0.69
SCHEMBL14069154 0.68 THRB (0.56) THRBSMN1; SMN2TP53SMYD3MAPT

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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-07 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-20120142666-A1 Azetidine 2-Carboxamide Derivatives Which Modulate The CB2 Receptor CNR2, CNR1, OPRL1 THRB 1041/4885SMN1; SMN2 4282/4885TP53 4827/4885

“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.