SCHEMBL9972155

SCHEMBL9972155

COCCOP(=O)(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.55
PKM P14618 2/20 0.50
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA4 P22748 1/20 0.49
CA5A P35218 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.46
SRC P12931 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
ELANE P08246 1/20 0.42
HTT P42858 2/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL343402 0.92 SRC (0.52) CA2PKML3MBTL1SRCTDP1
SCHEMBL5087200 0.86 PKM (0.47) CA2PKML3MBTL1SRCTDP1
SCHEMBL5087201 0.86 PKM (0.47) CA2PKML3MBTL1SRCTDP1
SCHEMBL11560938 0.85 PKM (0.65) PKML3MBTL1SRCTDP1ELANE
SCHEMBL1726270 0.85 MEN1 (0.56) PKML3MBTL1SRCTDP1MEN1
SCHEMBL17359428 0.85 L3MBTL1 (0.46) CA2PKMCA12CA1CA4
SCHEMBL9818167 0.84 SRC (0.48) PKML3MBTL1SRCTDP1ELANE
SCHEMBL32667934 0.84 SRC (0.48) PKML3MBTL1SRCTDP1ELANE
SCHEMBL27042268 0.82 SRC (0.47) PKML3MBTL1SRCTDP1ELANE
SCHEMBL17491620 0.82 SRC (0.47) PKML3MBTL1SRCTDP1ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8895068-B2 Nanoparticle composition and associated methods thereof GENERAL ELECTRIC COMPANY (US) 2014-11-25 US disclosed
US-8889103-B2 Diagnostic agent composition and associated methods thereof GENERAL ELECTRIC COMPANY (US) 2014-11-18 US disclosed
US-20120156141-A1 NANOPARTICLE COMPOSITION AND ASSOCIATED METHODS THEREOF GENERAL ELECTRIC COMPANY (US) 2012-06-21 US disclosed
US-20120156142-A1 DIAGNOSTIC AGENT COMPOSITION AND ASSOCIATED METHODS THEREOF GENERAL ELECTRIC COMPANY (US) 2012-06-21 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-20120156142-A1 DIAGNOSTIC AGENT COMPOSITION AND ASSOCIATED METHODS THEREOF PHOSPHO1, PHAX, PIK3CA CA2 1362/4885PKM 329/4885CA12 173/4885
US-20120156141-A1 NANOPARTICLE COMPOSITION AND ASSOCIATED METHODS THEREOF PHOSPHO1, PIK3CA, PTEN CA2 2456/4885PKM 603/4885CA12 507/4885

“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.