SCHEMBL10126536

SCHEMBL10126536

Cc1ccc(C)c(NCCCF)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 1/20 0.55
GUCY1B1 Q02153 1/20 0.55
KAT2B Q92831 4/20 0.44
ALDH1A1 P00352 3/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 2/20 0.44
HTT P42858 2/20 0.44
GAA P10253 2/20 0.43
RAPGEF4 Q8WZA2 1/20 0.43
HTR1A P08908 2/20 0.41
ADRA1D P25100 2/20 0.41
ADRA1A P35348 2/20 0.41
ADRA1B P35368 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 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
SCHEMBL10126543 0.84 KAT2B (0.54) GUCY1A1GUCY1B1KAT2BALDH1A1LMNA
SCHEMBL2611834 0.82 KAT2B (0.52) GUCY1A1GUCY1B1KAT2BALDH1A1LMNA
SCHEMBL10126485 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1KAT2BALDH1A1LMNA
SCHEMBL10126538 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1KAT2BALDH1A1LMNA
SCHEMBL10126542 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1KAT2BALDH1A1LMNA
SCHEMBL18780208 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1KAT2BALDH1A1LMNA
Hydrochloric Acid SCHEMBL28045736 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1KAT2BALDH1A1LMNA
SCHEMBL10126544 0.81 GUCY1A1 (0.59) GUCY1A1GUCY1B1KAT2BALDH1A1LMNA
SCHEMBL10813080 0.81 GUCY1A1 (0.50) GUCY1A1GUCY1B1KAT2BALDH1A1LMNA
SCHEMBL5284421 0.80 GUCY1A1 (0.54) GUCY1A1GUCY1B1ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 GUCY1A1 4274/4885GUCY1B1 4567/4885KAT2B 1377/4885

“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.