SCHEMBL17789130

SCHEMBL17789130

CCC(Cl)COCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
CA1 P00915 4/20 0.49
CA2 P00918 2/20 0.49
CA7 P43166 2/20 0.49
CA9 Q16790 2/20 0.49
TACR1 P25103 6/20 0.47
KMT2A Q03164 1/20 0.43
HTT P42858 1/20 0.42
SLC1A1 P43005 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
SCHEMBL6379461 0.81 CA1 (0.53) TSHRCA1CA2CA7CA9
SCHEMBL23674403 0.81 CA1 (0.53) TSHRCA1CA2CA7CA9
SCHEMBL10744312 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL3665423 0.81 TSHR (0.52) TSHRCA1CA2CA7CA9
SCHEMBL12847428 0.80 TSHR (0.56) TSHRCA1CA2CA7CA9
SCHEMBL24215413 0.79 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL24215416 0.79 TSHR (0.50) TSHRCA1CA2CA7CA9
SCHEMBL13003073 0.78 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL10052366 0.78 TSHR (0.54) TSHRCA1CA2CA7CA9
SCHEMBL4088856 0.77 TACR1 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160151506-A1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME SEIKAGAKU CORPORATION (JP) 2016-06-02 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-20160151506-A1 GLYCOSAMINOGLYCAN DERIVATIVE AND METHOD FOR PRODUCING SAME CSGALNACT1, CD44, GUSB TSHR 2294/4885CA1 275/4885CA2 822/4885

“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.