SCHEMBL10126544

SCHEMBL10126544

Cc1ccc(C)c(NCCCO)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GUCY1A1 Q02108 1/20 0.59
GUCY1B1 Q02153 1/20 0.59
ALDH1A1 P00352 5/20 0.50
HTT P42858 2/20 0.47
GAA P10253 3/20 0.44
BRD4 O60885 1/20 0.44
LMNA P02545 2/20 0.44
MAPT P10636 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
HDAC9 Q9UKV0 1/20 0.44
HDAC5 Q9UQL6 1/20 0.44
RAPGEF4 Q8WZA2 1/20 0.43

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
SCHEMBL11474259 0.89 GUCY1A1 (0.54) GUCY1A1GUCY1B1ALDH1A1HTTGAA
SCHEMBL8445455 0.84 CYP19A1 (0.50) GUCY1A1GUCY1B1ALDH1A1HTTGAA
SCHEMBL7657031 0.82 GAA (0.50) GUCY1A1GUCY1B1ALDH1A1GAABRD4
SCHEMBL10126538 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1ALDH1A1HTTGAA
SCHEMBL10126485 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1ALDH1A1HTTGAA
SCHEMBL10126542 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1ALDH1A1HTTGAA
SCHEMBL10126536 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1ALDH1A1HTTGAA
SCHEMBL18780208 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1ALDH1A1HTTGAA
Hydrochloric Acid SCHEMBL28045736 0.81 GUCY1A1 (0.55) GUCY1A1GUCY1B1ALDH1A1HTTGAA
SCHEMBL13204732 0.80 HTT (0.53) GUCY1A1GUCY1B1ALDH1A1HTTGAA

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 4567/4885ALDH1A1 932/4885

“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.