SCHEMBL11977375

SCHEMBL11977375

CC[C@H](CC(C)C)NCc1ccccc1O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CA12 O43570 6/20 0.49
▸ CA2 P00918 6/20 0.49
▸ TSHR P16473 3/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ HIF1A Q16665 1/20 0.47
▸ CA9 Q16790 5/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MPO P05164 3/20 0.45
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ SLC6A4 P31645 1/20 0.42
▸ MAPT P10636 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HTT P42858 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
SCHEMBL11977371 0.88 TSHR (0.55) POLBMAPK1CA12CA2TSHR
SCHEMBL30532401 0.88 TSHR (0.55) POLBMAPK1CA12CA2TSHR
SCHEMBL11977396 0.87 POLB (0.51) POLBMAPK1CA12CA2TSHR
SCHEMBL18706425 0.83 TSHR (0.50) POLBMAPK1CA12CA2TSHR
SCHEMBL13243155 0.83 TSHR (0.50) POLBMAPK1CA12CA2TSHR
SCHEMBL18706424 0.83 TSHR (0.50) POLBMAPK1CA12CA2TSHR
SCHEMBL11977373 0.82 POLB (0.49) POLBMAPK1CA12CA2TSHR
SCHEMBL13995964 0.81 POLB (0.69) POLBMAPK1CA12CA2TSHR
SCHEMBL13995868 0.81 POLB (0.69) POLBMAPK1CA12CA2TSHR
SCHEMBL170949 0.80 POLB (0.66) POLBMAPK1CA12CA2TSHR

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-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2012-08-16 — — US disclosed
US-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-12-29 — — 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 (2 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-20110319629-A1 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 POLB 3975/4885MAPK1 1709/4885CA12 396/4885
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 POLB 3975/4885MAPK1 1709/4885CA12 396/4885

“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.

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