SCHEMBL4760259

SCHEMBL4760259

Cc1cc(C)cc(N2C=[N+](c3cc(C)cc(C)c3)CC2)c1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ HSP90AA1 P07900 1/20 0.31
▸ CCR6 P51684 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ ADRB1 P08588 1/20 0.30
▸ NPSR1 Q6W5P4 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
SCHEMBL14464438 0.84 FFAR4 (0.35) —
Hydrochloric Acid SCHEMBL819094 0.72 MAPT (0.38) ALDH1A1MAPTADRB1NPSR1
SCHEMBL22189038 0.67 NPC1 (0.33) MAPTHPGDADRB1NPSR1
Hydrochloric Acid SCHEMBL1697483 0.66 MAPT (0.34) ALDH1A1MAPTNPSR1
SCHEMBL4760153 0.63 ALDH1A1 (0.40) ALDH1A1MAPTHSP90AA1CCR6HPGD
SCHEMBL20260122 0.61 MAPT (0.50) ALDH1A1MAPTHPGDADRB1NPSR1
Hydrochloric Acid SCHEMBL15329535 0.61 RAB9A (0.31) —
SCHEMBL7729842 0.60 MAPT (0.34) ALDH1A1MAPTHSP90AA1CCR6HPGD
Cyclohexane SCHEMBL1452174 0.59 ALDH1A1 (0.53) ALDH1A1MAPTHPGDNPSR1
Cyclopentane SCHEMBL29049188 0.59 ALDH1A1 (0.53) ALDH1A1MAPTHPGDNPSR1

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 6 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-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
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 2951/4885MAPT 2228/4885HSP90AA1 4607/4885
US-20070282148-A1 Organometallic ruthenium complexes and related methods for the preparation of tetra-substituted and other hindered olefins ORC3, OXER1, CBR3 ALDH1A1 2951/4885MAPT 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.

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