SCHEMBL6855844

SCHEMBL6855844

COc1ccccc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2nc3ccc(C(F)(F)F)cc3n2)c1O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CETP P11597 1/20 0.36
POLB P06746 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CSNK1D P48730 1/20 0.33
PTGS2 P35354 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
PPARG P37231 1/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
GAA P10253 2/20 0.33
NCS1 P62166 1/20 0.33
ALPL P05186 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33

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
SCHEMBL7937976 0.85 MAT2A (0.34)
SCHEMBL6863959 0.84 PTGDR2 (0.41) ABCG2CSNK1DPTGS2PTGDR2SMN1; SMN2
SCHEMBL6860748 0.84 CNR1 (0.38) CNR1CNR2CSNK1DHCRTR1HCRTR2
SCHEMBL6855342 0.83 DYRK1A (0.36) MAPTALOX15SMN1; SMN2HSD17B10
SCHEMBL7570384 0.81 NPC1 (0.45) POLBPPARGMAPTALOX15SMN1; SMN2
SCHEMBL769323 0.80 SHBG (0.35) CSNK1DALOX15HSD17B10HIF1A
SCHEMBL6856099 0.79 NPC1 (0.43) PDE2ACNR1CNR2CSNK1DGAA
SCHEMBL2638085 0.79 IDH1 (0.37) CSNK1DGAATP53MAPTALOX15
SCHEMBL29357978 0.79 NPC1 (0.33) POLB
SCHEMBL7520346 0.79 NPC1 (0.33) POLBPTGDR2ALOX15HSD17B10HIF1A

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-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US claimed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 US claimed
US-6800676-B2 ULTRAVIOLET RADIATION ABSORBERS; HEAT AND OXIDATION RESISTANCE CIBA SPECIALTY CHEMICALS CORPORATION 2004-10-05 US disclosed
US-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith CIBA SPECIALTY CHEMICALS CORP. 2003-01-02 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-20030004235-A1 Benzotriazoles containing phenyl groups substituted by heteroatoms and compositions stabilized therewith SUV39H1, SUV39H2, TPST2 PDE2A 4611/4885PDE10A 4315/4885CNR1 4101/4885

“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.