SCHEMBL11977391

SCHEMBL11977391

Cc1ccc(O)c(CN[C@H](CO)Cc2ccccc2)c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HTT P42858 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ ITGA4 P13612 5/20 0.41
▸ ITGB7 P26010 5/20 0.41
▸ GAA P10253 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ MAPT P10636 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL11984339 0.83 LMNA (0.49) MAPK1POLBITGA4ITGB7GAA
SCHEMBL11977390 0.83 MAPK1 (0.63) MAPK1POLBCYP3A4MEN1KMT2A
SCHEMBL10877160 0.80 SMN1; SMN2 (0.51) MAPK1HTTCYP3A4MEN1KMT2A
SCHEMBL10877163 0.80 SMN1; SMN2 (0.51) MAPK1HTTCYP3A4MEN1KMT2A
SCHEMBL23023068 0.76 SIGMAR1 (0.55) MAPK1POLBCYP3A4MEN1KMT2A
SCHEMBL7041284 0.76 SIGMAR1 (0.55) MAPK1POLBCYP3A4MEN1KMT2A
SCHEMBL1823141 0.76 SIGMAR1 (0.55) MAPK1POLBCYP3A4MEN1KMT2A
SCHEMBL8438027 0.74 SIGMAR1 (0.58) MAPK1CYP3A4MEN1KMT2AMAPT
SCHEMBL9393358 0.74 SIGMAR1 (0.58) MAPK1CYP3A4MEN1KMT2AMAPT
SCHEMBL8367122 0.74 SIGMAR1 (0.58) MAPK1CYP3A4MEN1KMT2AMAPT

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 MAPK1 1709/4885POLB 3975/4885NPSR1 2391/4885
US-20120209007-A9 TITANIUM COMPOUNDS AND PROCESS FOR CYANATION OF IMINES ABL1, TYR, CD59 MAPK1 1709/4885POLB 3975/4885NPSR1 2391/4885

“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.

Send feedback