SCHEMBL4303003

SCHEMBL4303003

OCc1cc(Cl)cc(-c2cc(Cl)ccn2)n1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.44
CCR5 P51681 1/20 0.44
CCR8 P51685 1/20 0.44
S1PR4 O95977 2/20 0.38
RECQL P46063 1/20 0.38
CYP1A2 P05177 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE8A O60658 1/20 0.33
NOTUM Q6P988 6/20 0.33
TDP1 Q9NUW8 1/20 0.33
FERMT2 Q96AC1 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
SCHEMBL4310126 0.89 CCR1 (0.38) CCR1CCR5CCR8S1PR4RECQL
SCHEMBL2538923 0.81 CCR1 (0.63) CCR1CCR5CCR8CYP1A2ALDH1A1
SCHEMBL31275057 0.79
SCHEMBL510676 0.79
SCHEMBL827247 0.77 CCR1 (0.48) CCR1CCR5CCR8CYP1A2ALDH1A1
SCHEMBL4307526 0.76 CCR1 (0.38) CCR1CCR5CCR8CYP1A2ALDH1A1
SCHEMBL4596056 0.74 NOTUM (0.44) CCR1S1PR4RECQLALDH1A1MAPT
SCHEMBL4309284 0.71 EIF4E (0.36) CCR1CCR5CCR8CYP1A2ALDH1A1
SCHEMBL4340562 0.70 CCR1 (0.42) CCR1CCR5CCR8ALDH1A1MAPT
SCHEMBL12501424 0.69 CCR1 (0.40) CCR1CCR5CCR8MAPTL3MBTL1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
US-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts CIBA CORP. 2009-02-19 US disclosed
WO-2007090461-A1 USE OF METAL COMPLEX COMPOUNDS AS OXIDATION CATALYSTS CIBA HOLDING INC. (CH) 2007-08-16 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 (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-20090044345-A1 Use of Metal Complex Compounds as Oxidation Catalysts MT-CO2, MT-CO1, SOD1 CCR1 2729/4885CCR5 2351/4885CCR8 3228/4885

“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.