SCHEMBL802486

SCHEMBL802486

C[C@@H]1[C@@H](CO)CC[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.46
CHRM4 P08173 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
CHRNA7 P36544 1/20 0.43
BCHE P06276 1/20 0.43
APOBEC3A P31941 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL15215812 0.84 LGALS9 (0.45) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL12069028 0.84 LGALS9 (0.45) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL803313 0.80 CHRM2 (0.40) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL9469882 0.76 LGALS9 (0.46) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL16311866 0.76 CHRM2 (0.56) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL19228658 0.75 CHRM2 (0.48) CHRM2CHRM4CHRM1CHRM3HTR3E
SCHEMBL12347869 0.75 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL12347855 0.75 CHRM2 (0.47) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL12103794 0.73 BCHE (0.49) CHRM2CHRM4CHRM1CHRM3MEN1
SCHEMBL10240925 0.73 CHRM2 (0.44) CHRM2CHRM4CHRM1CHRM3HTR3E

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8481550-B2 Heteroaryl compounds useful as inhibitors of E1 activating enzymes MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-07-09 US disclosed
US-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-03-22 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-20120071482-A1 HETEROARYL COMPOUNDS USEFUL AS INHIBITORS OF E1 ACTIVATING ENZYMES RCE1, ECE1, UBE2E1 CHRM2 3901/4885CHRM4 4016/4885CHRM1 3047/4885

“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.