SCHEMBL11983041

SCHEMBL11983041

SCC[n+]1ccc2c(c1)CCC/C2=C\c1cc2c3c(c1)CCCN3CCC2

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 2/20 0.35
HPGD P15428 2/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35
GFER P55789 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
LMNA P02545 1/20 0.35
RAD52 P43351 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
CYP19A1 P11511 7/20 0.34
CYP11B2 P19099 7/20 0.34
CYP11B1 P15538 5/20 0.34
PTGS2 P35354 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
SCHEMBL11983005 0.86 PTGS2 (0.49) KMT2AALDH1A1POLBMAPTMEN1
SCHEMBL14392935 0.79 KMT2A (0.40) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL11982990 0.76 CYP1A2 (0.48) KMT2AKDM4EALDH1A1MAPTHPGD
SCHEMBL11983040 0.75 PTGS2 (0.35) KMT2AALDH1A1POLBMAPTMEN1
SCHEMBL13292586 0.75 PTGS2 (0.35) CYP19A1CYP11B2CYP11B1PTGS2
SCHEMBL14392873 0.74 KMT2A (0.35) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL14392881 0.73 KMT2A (0.37) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL11982982 0.69 PTGS2 (0.37) KMT2AALDH1A1POLBMAPTMEN1
SCHEMBL18102250 0.68 KDM4A (0.42) KMT2AKDM4EALDH1A1POLBMAPT
SCHEMBL13840317 0.68 HTT (0.49) KMT2AKDM4EMAPTBLMMEN1

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
EP-2075289-B1 Styryl tetrahydroquinolinium thiol/disulfide compound, process for lightening keratin materials using this dye OREAL (FR) 2012-08-15 EP disclosed
US-7744657-B2 Styrl tetrahydroquinolinium thiol/disulfide dye compound and method for lightening keratin materials using the same L'OREAL S.A. (FR) 2010-06-29 US disclosed
EP-2075289-A1 Styryl tetrahydroquinolinium thiol/disulfide compound, process for lightening keratin materials using this dye L'Oréal (FR) 2009-07-01 EP disclosed
US-20090126125-A1 STYRYL TETRAHYDROQUINOLINIUM THIOL/DISULFIDE DYE COMPOUND AND METHOD FOR LIGHTENING KERATIN MATERIALS USING THE SAME L'OREAL S.A. (FR) 2009-05-21 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-20090126125-A1 STYRYL TETRAHYDROQUINOLINIUM THIOL/DISULFIDE DYE COMPOUND AND METHOD FOR LIGHTENING KERATIN MATERIALS USING THE SAME KRT18, TST, CYBA KMT2A 1315/4885KDM4E 2113/4885ALDH1A1 542/4885

“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.