SCHEMBL4607848

SCHEMBL4607848

CCOc1ccnc(-c2cc(OCC)ccn2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.61
CCR5 P51681 2/20 0.61
CCR8 P51685 2/20 0.61
NQO1 P15559 1/20 0.50
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
CBFB Q13951 1/20 0.43
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
KMT2A Q03164 1/20 0.41
APOBEC3G Q9HC16 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL2535588 0.92 CCR1 (0.53) CCR1CCR5CCR8NQO1TP53
SCHEMBL2536198 0.87 CCR1 (0.63) CCR1CCR5CCR8NQO1CYP3A4
SCHEMBL2539037 0.86 CCR1 (0.47) CCR1CCR5CCR8NQO1TP53
SCHEMBL15223390 0.83 CCR1 (0.57) CCR1CCR5CCR8CYP3A4TSHR
SCHEMBL12093758 0.80 UHRF1 (0.48) NQO1TP53CYP3A4TSHRTDP1
SCHEMBL3817033 0.80 NQO1 (0.48) CCR1CCR5CCR8NQO1TP53
SCHEMBL2537027 0.79 MAPT (0.46) CCR1CCR5CCR8TP53CYP3A4
SCHEMBL2537687 0.79 MAPT (0.44) CCR1CCR5CCR8CBFBTSHR
SCHEMBL7499287 0.78 NOS3 (0.64) NQO1TP53CYP3A4TSHRTDP1
SCHEMBL7853860 0.78 NQO1 (0.46) CCR1CCR5CCR8NQO1TP53

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-20250309306-A1 Cationic Viologen Derivatives and Use Thereof in Redox Flow Batteries THE GOVERNING COUNCIL OF THE UNIVERSITY OF TORONTO (CA) 2025-10-02 US disclosed
EP-1161685-B1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INT (FR) 2008-01-09 EP disclosed
US-7309567-B1 Method for reducing fluorescence quenching in bioassays CIS BIO INTERNATIONAL (FR) 2007-12-18 US disclosed
EP-1161685-A1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INTERNATIONAL (FR) 2001-12-12 EP disclosed
US-6187928-B1 TREATING FUNGAL DISEASES THE ROCKEFELLER UNIVERSITY 2001-02-13 US disclosed
WO-2000055630-A1 METHOD FOR REDUCING FLUORESCENCE QUENCHING IN BIOASSAYS CIS BIO INTERNATIONAL (FR) 2000-09-21 WO disclosed
US-6087510-A Method of use of imidazolium cations THE ROCKEFELLER UNIVERSITY (US) 2000-07-11 US disclosed
US-5969150-A FLUORESCENT COMPOUNDS FOR MEDICAL DIAGNOSIS, DRUGS AND LABELS OR FUNGICIDES AND VIRICIDES THE ROCKEFELLER UNIVERSITY (US) 1999-10-19 US disclosed
US-5874587-A FLUORESCENCE THE ROCKEFELLER UNIVERSITY (US) 1999-02-23 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-20250309306-A1 Cationic Viologen Derivatives and Use Thereof in Redox Flow Batteries PRDX3, PRDX5, VAT1 CCR1 4437/4885CCR5 4052/4885CCR8 4260/4885

“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.