SCHEMBL4663932

SCHEMBL4663932

CC[n+]1c(C)sc2cc(OC)ccc21.F[B-](F)(F)F

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 10/20 0.86
▸ POLB P06746 2/20 0.86
▸ APOBEC3A P31941 1/20 0.65
▸ KDM4E B2RXH2 5/20 0.57
▸ LMNA P02545 5/20 0.57
▸ ALDH1A1 P00352 8/20 0.47
▸ GAA P10253 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ CYP3A4 P08684 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ TDP1 Q9NUW8 2/20 0.46
▸ HTT P42858 3/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ BLM P54132 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
SCHEMBL8003049 0.94 MAPT (0.97) MAPTPOLBAPOBEC3AKDM4ELMNA
Iodide SCHEMBL6366382 0.93 MAPT (1.00) MAPTPOLBAPOBEC3AKDM4ELMNA
SCHEMBL14403381 0.82 MAPT (0.75) MAPTPOLBAPOBEC3AKDM4ELMNA
Iodide SCHEMBL2987038 0.81 MAPT (0.78) MAPTPOLBAPOBEC3AKDM4ELMNA
Bromide SCHEMBL6247610 0.78 MAPT (0.71) MAPTPOLBAPOBEC3AKDM4ELMNA
Bromide SCHEMBL11598353 0.76 MAPT (0.66) MAPTPOLBAPOBEC3AKDM4ELMNA
SCHEMBL10600455 0.75 MAPT (0.54) MAPTPOLBKDM4ELMNAALDH1A1
SCHEMBL8943203 0.75 MAPT (0.96) MAPTPOLBAPOBEC3AKDM4ELMNA
SCHEMBL13652077 0.73 MAPT (0.73) MAPTPOLBAPOBEC3AKDM4ELMNA
Iodide SCHEMBL29039127 0.72 MAPT (0.76) MAPTPOLBAPOBEC3AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2008-08-14 — — US disclosed
EP-1743333-A1 METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-01-17 — — EP disclosed
WO-2005106868-A1 METAL CHELATES AND THEIR USE IN OPTICAL RECORDING MEDIA HAVING HIGH STORAGE CAPACITY CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-11-10 — — 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-20080193700-A1 Metal Chelates and Their Use in Optical Recording Media Having High Storage Capacity TMCO1, KCNN3, CACNA1F MAPT 580/4885POLB 2726/4885APOBEC3A 636/4885

“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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