SCHEMBL12293000

SCHEMBL12293000

C#CCOCCOCCOCCCCN

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.45
NFKB1 P19838 1/20 0.32
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA3 P07451 2/20 0.30
CA4 P22748 2/20 0.30
CA6 P23280 2/20 0.30
CA5A P35218 2/20 0.30
CA7 P43166 2/20 0.30
CA9 Q16790 2/20 0.30
CA14 Q9ULX7 2/20 0.30
CA5B Q9Y2D0 2/20 0.30
DNM1 Q05193 1/20 0.30
LMNA P02545 1/20 0.30
BLM P54132 1/20 0.30

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
SCHEMBL22788696 1.00 TSHR (0.45) TSHRNFKB1CA12CA1CA2
SCHEMBL23854030 0.95
SCHEMBL22774840 0.93 TSHR (0.47) TSHR
SCHEMBL10298223 0.93 TSHR (0.47) TSHR
SCHEMBL22793806 0.93 TSHR (0.47) TSHRNFKB1CA12CA1CA2
Hydrochloric Acid SCHEMBL14576650 0.91 TSHR (0.45) TSHRNFKB1CA12CA1CA2
SCHEMBL13293733 0.88
Hydrochloric Acid SCHEMBL25375881 0.86
SCHEMBL22796846 0.84 TSHR (0.47) TSHR
SCHEMBL1491293 0.83 TSHR (0.40) TSHR

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-20110217241-A1 CONJUGATES OF 19F MR IMAGING TRACERS FOR USE IN MULTI-CHROMIC MRI IMAGING UNIVERSITY OF MARYLAND, BALTIMORE (US) 2011-09-08 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-20110217241-A1 CONJUGATES OF 19F MR IMAGING TRACERS FOR USE IN MULTI-CHROMIC MRI IMAGING SRP19, RGS19, MYOF TSHR 352/4885NFKB1 4510/4885CA12 35/4885

“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.