SCHEMBL10126595

SCHEMBL10126595

Cc1ccc2c(c1)C(C(=O)O)(C(=O)O)c1cc(C)ccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.43
CA9 Q16790 3/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 1/20 0.42
CA4 P22748 1/20 0.42
CA7 P43166 1/20 0.42
CSNK2A1 P68400 1/20 0.39
CCR2 P41597 1/20 0.39
HPGD P15428 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
LMNA P02545 1/20 0.37
CYP2A6 P11509 1/20 0.37
LDHA P00338 1/20 0.37
LDHB P07195 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA12 O43570 1/20 0.37

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
SCHEMBL14532712 0.82 PDK2 (0.42) PDK2CA9CA1CA2CA4
SCHEMBL11940288 0.78 PDK2 (0.38) PDK2CCR2HPGDALDH1A1MEN1
SCHEMBL15587208 0.73 CA1 (0.54) PDK2CA9CA1CA2CA4
SCHEMBL19286810 0.72 PDK2 (0.47) PDK2CA9CA1CA2CA4
SCHEMBL14277908 0.72 APEX1 (0.59) PDK2CA9CA1CA2CA4
SCHEMBL14394456 0.71 PDK2 (0.52) PDK2CA9CA1CA2CA4
SCHEMBL30882453 0.71 ALDH1A1 (0.47) PDK2CA9CA1CSNK2A1HPGD
SCHEMBL10126594 0.71 ALDH1A1 (0.52) CA9CA1CSNK2A1HPGDALDH1A1
SCHEMBL4368315 0.70 PDK2 (0.46) PDK2CA9CA1CA2CA4
SCHEMBL4403150 0.69 CNR2 (0.55) PDK2ALDH1A1MEN1KMT2ALMNA

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
US-9704612-B2 Composition of silver-conjugated compound composite SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2017-07-11 US disclosed
US-20120168693-A1 SILVER-(CONJUGATED COMPOUND) COMPOSITE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-07-05 US disclosed
US-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-02-09 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-20120032121-A1 METALLIC COMPOSITE AND COMPOSITION THEREOF CDH1, EPCAM, CD4 PDK2 4282/4885CA9 498/4885CA1 525/4885

“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.