SCHEMBL4614366

SCHEMBL4614366

COc1ccc2c(c1)C(C)(C)C(C)=[N+]2C.F[B-](F)(F)F

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VDR P11473 5/20 0.53
BCL2 P10415 1/20 0.35
MAPT P10636 5/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
HTT P42858 3/20 0.35
LMNA P02545 2/20 0.35
THRB P10828 2/20 0.35
RECQL P46063 2/20 0.35
APEX1 P27695 1/20 0.35
ACHE P22303 2/20 0.33
PDK2 Q15119 1/20 0.33
ALDH1A1 P00352 5/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NOD2 Q9HC29 1/20 0.32
BCHE P06276 1/20 0.31

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
SCHEMBL4615881 0.94 VDR (0.58) VDRBCL2MAPTMEN1KMT2A
Hydrochloric Acid SCHEMBL4613582 0.92 VDR (0.57) VDRBCL2MAPTMEN1KMT2A
Iodide SCHEMBL6248897 0.92 VDR (0.57) VDRBCL2MAPTMEN1KMT2A
Bromide SCHEMBL4614412 0.92 VDR (0.57) VDRBCL2MAPTMEN1KMT2A
Sulfuric Acid SCHEMBL4616814 0.87 VDR (0.52) VDRBCL2MAPTMEN1KMT2A
SCHEMBL5849880 0.85 CYP1A1 (0.48) VDRMAPTMEN1KMT2AKDM4E
Sulfuric Acid SCHEMBL4617371 0.84 VDR (0.50) VDRBCL2MAPTMEN1KMT2A
SCHEMBL4616667 0.81 MAPT (0.58) VDRBCL2MAPTMEN1KMT2A
SCHEMBL4614019 0.81 MAPT (0.58) VDRBCL2MAPTMEN1KMT2A
SCHEMBL12866325 0.76 VDR (0.44) VDRMAPTMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1699427-B1 AGENT AND METHOD FOR OXIDATIVELY DYING KERATIN FIBERS WELLA AG (DE) 2008-02-27 EP claimed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US claimed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 US claimed
US-7244278-B2 Agent and method for oxidative coloring of keratin fibers WELLA AG (DE) 2007-07-17 US disclosed
US-20070067927-A1 Agent and method for oxidative coloring of keratin fibers HFC PRESTIGE INTERNATIONAL HOLDING SWITZERLAND S.A.R.L (CH) 2007-03-29 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-20070067927-A1 Agent and method for oxidative coloring of keratin fibers KRT18, KIT, AOC1 VDR 3539/4885BCL2 2663/4885MAPT 1792/4885

“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.