SCHEMBL4760153

SCHEMBL4760153

Cc1cc(C)cc(N2C=CN(c3cc(C)cc(C)c3)C2)c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
MAPT P10636 2/20 0.40
HSP90AA1 P07900 1/20 0.39
CCR6 P51684 1/20 0.39
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NOTUM Q6P988 1/20 0.35
TSHR P16473 1/20 0.35
POLB P06746 1/20 0.34
HPGD P15428 2/20 0.33
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SELL P14151 1/20 0.32
SELP P16109 1/20 0.32
SELE P16581 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL28324527 0.82 ALDH1A1 (0.38) ALDH1A1MAPTHSP90AA1CCR6NPSR1
SCHEMBL27877227 0.81 ALDH1A1 (0.32) ALDH1A1MAPTHSP90AA1CCR6NPSR1
SCHEMBL223853 0.74 MAPT (0.42) ALDH1A1MAPTNPSR1KDM4ENOTUM
SCHEMBL22994399 0.72 L3MBTL1 (0.46) ALDH1A1MAPTHSP90AA1NPSR1NOTUM
SCHEMBL34512 0.72 ALDH1A1 (0.35) ALDH1A1MAPTNPSR1KDM4EPOLB
Hydrochloric Acid SCHEMBL820585 0.72 MAPT (0.41) ALDH1A1MAPTNPSR1KDM4ENOTUM
SCHEMBL28250871 0.70 MAPT (0.34) ALDH1A1MAPTHSP90AA1CCR6NPSR1
Hydrochloric Acid SCHEMBL552835 0.70 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1KDM4EPOLB
Iodide SCHEMBL28719252 0.70 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1KDM4EPOLB
Bromide SCHEMBL30353850 0.70 ALDH1A1 (0.34) ALDH1A1MAPTNPSR1KDM4EPOLB

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-8361922-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2013-01-29 US disclosed
US-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS CALIFORNIA INSTITUTE OF TECHNOLOGY (US) 2012-05-17 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-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS ORC3, OXER1, CBR3 ALDH1A1 2951/4885MAPT 2228/4885HSP90AA1 4607/4885

“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.