SCHEMBL170949

SCHEMBL170949

CC[C@H](C)NCc1ccccc1O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.66
MAPK1 P28482 1/20 0.66
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
TSHR P16473 3/20 0.53
CYP2D6 P10635 1/20 0.53
HIF1A Q16665 1/20 0.53
CA12 O43570 6/20 0.50
CA2 P00918 6/20 0.50
CA9 Q16790 5/20 0.48
KDM4E B2RXH2 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 3/20 0.46
MPO P05164 2/20 0.46
ALDH1A1 P00352 1/20 0.45
HTT P42858 1/20 0.45
PKM P14618 1/20 0.44
HSPA5 P11021 1/20 0.43
SLC6A4 P31645 1/20 0.43
HPGD P15428 1/20 0.42

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
SCHEMBL172673 1.00 POLB (0.66) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL19091174 1.00 POLB (0.66) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL19954233 0.86 POLB (0.62) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL13133346 0.85 POLB (0.66) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL13257871 0.85 POLB (0.66) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL13995868 0.84 POLB (0.69) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL13995964 0.84 POLB (0.69) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL28029432 0.84 POLB (0.64) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL30532401 0.83 TSHR (0.55) POLBMAPK1MEN1KMT2ATSHR
SCHEMBL11977371 0.83 TSHR (0.55) POLBMAPK1MEN1KMT2ATSHR

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 3 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
EP-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP 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 1709/4885MEN1 1639/4885
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 POLB 3975/4885MAPK1 1709/4885MEN1 1639/4885

“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.