SCHEMBL522553

SCHEMBL522553

COC(=O)c1ccc(CO)c(F)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 4/20 0.39
GLA P06280 3/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 3/20 0.39
NPC1 O15118 1/20 0.39
CASP3 P42574 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
SENP8 Q96LD8 1/20 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
SCHEMBL23169118 0.87 CA12 (0.42) SLC6A4SLC6A3CA12CA1CA2
SCHEMBL489805 0.86 ALDH1A1 (0.42) SLC6A4SLC6A3CA12CA1CA2
SCHEMBL522062 0.84 CA12 (0.52) SLC6A4SLC6A3CA12CA1CA2
SCHEMBL2619294 0.84 MRGPRX4 (0.50) SLC6A4SLC6A3KDM4EALDH1A1GLA
SCHEMBL2951454 0.84 LOXL2 (0.47) SLC6A4SLC6A3CA12CA1CA2
SCHEMBL3991676 0.83 FFAR4 (0.39) SLC6A4SLC6A3CA12CA1CA2
SCHEMBL4447946 0.81 GAA (0.42) SLC6A4SLC6A3CA12CA1CA2
SCHEMBL28785054 0.81 ALDH1A1 (0.40) SLC6A4SLC6A3CA12CA1CA2
SCHEMBL382348 0.79 CES2 (0.61) SLC6A4SLC6A3CA12CA1CA2
SCHEMBL7217393 0.78 ALDH1A1 (0.44) KDM4EALDH1A1LMNATSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2415741-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-02-08 EP disclosed
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-02 US disclosed
US-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-01-12 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 (2 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-20120010417-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND ADH1A, ADH1C, ADH5 SLC6A4 683/4885SLC6A3 980/4885CA12 528/4885
US-20120029195-A1 METHOD FOR PRODUCING ALCOHOL COMPOUND AND CATALYST THEREFOR ADH1A, ADH1C, ADH5 SLC6A4 1704/4885SLC6A3 2775/4885CA12 2076/4885

“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.