SCHEMBL3733950

SCHEMBL3733950

CC(Oc1ccc(CO)cc1Br)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HTT P42858 1/20 0.35
TTR P02766 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
LMNA P02545 1/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
HSP90AA1 P07900 1/20 0.34
NPY1R P25929 1/20 0.34
MAPT P10636 2/20 0.33
NPC1 O15118 2/20 0.33
GAA P10253 2/20 0.33
RAB9A P51151 2/20 0.33
CSNK2A1 P68400 1/20 0.33
S1PR1 P21453 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
PTGS1 P23219 1/20 0.33
PTGS2 P35354 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
SCHEMBL3721206 0.88 HTT (0.35) KDM4EALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL3719650 0.85 CSNK2A1 (0.45) KDM4EALDH1A1TDP1TTRSMN1; SMN2
SCHEMBL16957841 0.75 PTGDR2 (0.40) ALDH1A1TTRLMNAMAPTCSNK2A1
SCHEMBL10088952 0.75 RORC (0.41) KDM4EALDH1A1TDP1TTRSMN1; SMN2
SCHEMBL16958146 0.75 PDE4A (0.44) KDM4EALDH1A1TDP1HTTTTR
SCHEMBL30640919 0.75 PDE4A (0.44) KDM4EALDH1A1TDP1HTTTTR
SCHEMBL759473 0.73 CHRNB4 (0.43) SMN1; SMN2
SCHEMBL3719661 0.72 GAA (0.45) KDM4EALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL2500053 0.72 MAPT (0.56) KDM4EALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL3723071 0.71 CSNK2A1 (0.45) KDM4EALDH1A1TDP1HTTSMN1; SMN2

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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE SARMA PAKALA KUMARA SAVITHRU 2010-11-04 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-20100280067-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE ACACA, ACACB, PC KDM4E 1375/4885ALDH1A1 276/4885TDP1 4264/4885

“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.