SCHEMBL10076979

SCHEMBL10076979

NCC(CCO)COCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 5/20 0.50
CA2 P00918 3/20 0.47
CA7 P43166 3/20 0.47
CA9 Q16790 3/20 0.47
TACR1 P25103 2/20 0.46
TSHR P16473 1/20 0.45
SLC1A1 P43005 1/20 0.44
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44
CA4 P22748 1/20 0.40
FOLH1 Q04609 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38
IDO1 P14902 1/20 0.38

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
SCHEMBL18990552 0.90 CA1 (0.53) CA1CA2CA7CA9TACR1
SCHEMBL10507710 0.90 CA1 (0.53) CA1CA2CA7CA9TACR1
SCHEMBL10052085 0.86 CA1 (0.50) CA1CA2CA7CA9TACR1
SCHEMBL7866645 0.83 CA1 (0.47) CA1CA2CA7CA9TACR1
SCHEMBL10796189 0.83 CA1 (0.46) CA1CA2CA7CA9TACR1
Hydrochloric Acid SCHEMBL10796996 0.82 CA1 (0.45) CA1CA2CA7CA9TACR1
SCHEMBL3324362 0.79 TSHR (0.52) CA1CA2CA7CA9TACR1
SCHEMBL14453897 0.78 CA1 (0.56) CA1CA2CA7CA9TACR1
SCHEMBL1865158 0.78 CA1 (0.56) CA1CA2CA7CA9TACR1
SCHEMBL21848157 0.78 TSHR (0.67) CA1CA2CA7CA9TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120077988-A1 BRANCHED HETERO POLYETHYLENE GLYCOL AND INTERMEDIATE NOF CORPORATION (JP) 2012-03-29 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-20120077988-A1 BRANCHED HETERO POLYETHYLENE GLYCOL AND INTERMEDIATE F12, FGB, F13B CA1 1057/4885CA2 2103/4885CA7 1634/4885

“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.