SCHEMBL4112804

SCHEMBL4112804

CCC=CCCOC(=O)C=CC(=O)Oc1c(C)occc1=O

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 3/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 2/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
GAA P10253 1/20 0.37
LDHA P00338 9/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 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
SCHEMBL4112796 1.00 SMN1; SMN2 (0.40) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL4107182 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL4107178 0.85 SMN1; SMN2 (0.46) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL4113520 0.73 ATM (0.54) KMT2AATMMAPT
SCHEMBL28576320 0.73 ATM (0.54) KMT2AATMMAPT
SCHEMBL15797717 0.70 CA12 (0.51) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL15797772 0.70 CA12 (0.51) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL1532533 0.70 SMN1; SMN2 (0.51) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL15805563 0.69 MAPT (0.56) SMN1; SMN2LMNAKMT2AATMMEN1
SCHEMBL28608616 0.69 ATM (0.71) ATMMAPT

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-20090047223-A1 Improvements in or Related to Organic Compoounds GIVAUDAN SA (CH) 2009-02-19 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-20090047223-A1 Improvements in or Related to Organic Compoounds LPO, OTC, OAT SMN1; SMN2 1471/4885LMNA 4030/4885KMT2A 3198/4885

“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.