SCHEMBL6416867

SCHEMBL6416867

COC(=O)c1ccc2c(c1O)CCCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 2/20 0.42
PDK4 Q16654 2/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
MAPT P10636 2/20 0.41
USP2 O75604 1/20 0.41
MITF O75030 1/20 0.41
KDM4E B2RXH2 3/20 0.41
GAA P10253 2/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PDK1 Q15118 1/20 0.39
PDK3 Q15120 1/20 0.39
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39

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
SCHEMBL19330760 0.97 PDK2 (0.42) PDK2PDK4CA12CA1CA2
SCHEMBL30521380 0.85 KDM4E (0.43) PDK2PDK4CA12CA1CA2
SCHEMBL6419926 0.83 KDM4E (0.45) PDK2PDK4CA12CA1CA2
SCHEMBL19810484 0.82 KMT2A (0.40) PDK2PDK4CA12CA1CA2
SCHEMBL19810361 0.82 ACHE (0.44) PDK2PDK4CA12CA1CA2
SCHEMBL4906016 0.81 ALDH1A1 (0.47) MAPTKDM4EGAALMNAALDH1A1
SCHEMBL2787728 0.80 SELL (0.47) KDM4EALDH1A1HSD17B10HPGDBCL2L1
SCHEMBL38663769 0.80 ALDH1A1 (0.43) PDK2PDK4CA12CA1CA2
SCHEMBL21834481 0.79 MEN1 (0.41) PDK2PDK4CA12CA1CA2
SCHEMBL2475697 0.79 ACHE (0.44) PDK2PDK4CA12CA1CA2

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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors PFIZER INC 2005-01-20 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-20050014789-A1 Amide derivatives as selective serotonin re-uptake inhibitors SLC6A4, HTR3C, HTR3A PDK2 2667/4885PDK4 2636/4885CA12 4336/4885

“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.