SCHEMBL12464486

SCHEMBL12464486

CCCCCCCC(CCC)N=C=O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
CA2 P00918 1/20 0.38
GPR84 Q9NQS5 6/20 0.36
FDPS P14324 3/20 0.36
FFAR1 O14842 1/20 0.36
LMNA P02545 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35
CA1 P00915 1/20 0.35
DNM1 Q05193 1/20 0.34
LAP3 P28838 1/20 0.34

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
SCHEMBL29036640 1.00 MAPT (0.39) MAPTADH1BADH1CADH1AADH4
SCHEMBL6844203 1.00 MAPT (0.39) MAPTADH1BADH1CADH1AADH4
SCHEMBL21722569 0.98 CA1 (0.36) MAPTADH1BADH1CADH1AADH4
SCHEMBL1886434 0.96 MAPT (0.33) MAPTADH1BADH1CADH1AADH4
SCHEMBL21722662 0.96 MAPT (0.42) MAPTADH1BADH1CADH1AADH4
SCHEMBL2564972 0.96 MAPT (0.42) MAPTADH1BADH1CADH1AADH4
SCHEMBL18324263 0.96 MAPT (0.42) MAPTADH1BADH1CADH1AADH4
SCHEMBL21722523 0.96 MAPT (0.42) MAPTADH1BADH1CADH1AADH4
SCHEMBL11575980 0.96 MAPT (0.42) MAPTADH1BADH1CADH1AADH4
SCHEMBL21722878 0.96 MAPT (0.42) MAPTADH1BADH1CADH1AADH4

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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS Instituto di Ricerche di Biologia Molecolare P. Ang 2011-07-28 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-20110183989-A1 SATURATED BICYCLIC HETEROCYCLIC DERIVATIVES AS SMO ANTAGONISTS SMO, SHH, GLI1 MAPT 268/4885ADH1B 3184/4885ADH1C 3485/4885

“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.