SCHEMBL4740358

SCHEMBL4740358

Cc1cc(C)cc(N=CC=Nc2cc(C)cc(C)c2)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 4/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
HSP90AA1 P07900 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 2/20 0.36
S100B P04271 1/20 0.36
BLM P54132 1/20 0.36
GAA P10253 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
ACHE P22303 1/20 0.32
TPMT P51580 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL5679214 0.97 ALDH1A1 (0.37) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL7092582 0.85 ALDH1A1 (0.38) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL16659632 0.80 ALDH1A1 (0.37) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL27965052 0.78 ALDH1A1 (0.41) ALDH1A1TSHRMAPTKDM4EMEN1
SCHEMBL10815192 0.71 ALDH1A1 (0.44) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL1672267 0.71 ALDH1A1 (0.44) ALDH1A1TSHRHSP90AA1BLMACHE
SCHEMBL11695348 0.71 ALDH1A1 (0.44) ALDH1A1TSHRMAPTMEN1KMT2A
SCHEMBL3740737 0.71 KMT2A (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3740739 0.71 KMT2A (0.37) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL14816948 0.71 CYP2D6 (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A

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 9 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-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
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
US-8008224-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2011-08-30 US disclosed
US-8008224-B2 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins MATERIA, INC. (US) 2011-08-30 US disclosed
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-12-06 US disclosed
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins CALIFORNIA INSTITUTE OF TECHNOLOGY 2007-12-06 US disclosed
WO-2007075427-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS MATERIA, INC. (US) 2007-07-05 WO 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-20120123133-A1 ORGANOMETALLIC RUTHENIUM COMPLEXES AND RELATED METHODS FOR THE PREPARATION OF TETRA-SUBSTITUTED AND OTHER HINDERED OLEFINS ORC3, OXER1, CBR3 ALDH1A1 2951/4885TSHR 2215/4885MAPT 2228/4885
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins ORC3, OXER1, CBR3 ALDH1A1 2951/4885TSHR 2215/4885MAPT 2228/4885

“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.