SCHEMBL9972154

SCHEMBL9972154

COCCOC(COCc1ccccc1)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
CA1 P00915 4/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
TACR1 P25103 3/20 0.44
KMT2A Q03164 1/20 0.43
HTT P42858 2/20 0.42
PLA2G10 O15496 1/20 0.41
PLA2G2A P14555 1/20 0.41
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC1A1 P43005 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
SCHEMBL10038814 0.97 TSHR (0.44) TSHRCA1CA2CA7CA9
SCHEMBL21398845 0.95 TSHR (0.42) TSHRCA1CA2CA7CA9
SCHEMBL21398746 0.95 TSHR (0.42) TSHRCA1CA2CA7CA9
SCHEMBL1217267 0.95 TSHR (0.42) TSHRCA1CA2CA7CA9
SCHEMBL4820202 0.87 PLA2G10 (0.45) TSHRCA1CA2CA7CA9
SCHEMBL9575373 0.86 TSHR (0.47) TSHRCA1CA2CA7CA9
SCHEMBL25837482 0.86 PLA2G10 (0.47) TSHRCA1CA2CA7CA9
SCHEMBL16733022 0.85 KMT2A (0.46) TSHRCA1CA2CA7CA9
SCHEMBL24340427 0.83 PLA2G2A (0.54) PLA2G10PLA2G2ATDP1L3MBTL1
SCHEMBL566016 0.82 TSHR (0.50) TSHRCA1CA2CA7CA9

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 TSHR 2562/4885CA1 1105/4885CA2 1362/4885
US-20120156141-A1 NANOPARTICLE COMPOSITION AND ASSOCIATED METHODS THEREOF PHOSPHO1, PIK3CA, PTEN TSHR 3625/4885CA1 987/4885CA2 2456/4885

“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.