SCHEMBL17774967

SCHEMBL17774967

CC(C)CN(c1ccc(N)c(C(N)=O)c1)C(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 1/20 0.40
▸ HTT P42858 1/20 0.38
▸ MCL1 Q07820 8/20 0.37
▸ BCL2L1 Q07817 5/20 0.37
▸ POLB P06746 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ RORC P51449 1/20 0.33
▸ GRK6 P43250 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HPGD P15428 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ CDC25B P30305 1/20 0.32
▸ CASP6 P55212 1/20 0.32
▸ RCE1 Q9Y256 1/20 0.32
▸ MMP3 P08254 1/20 0.32

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
SCHEMBL17779232 0.89 HTT (0.40) IKBKBHTTMCL1BCL2L1POLB
SCHEMBL17774977 0.87 IGLV6-57 (0.41) IKBKBHTTMCL1POLBL3MBTL1
SCHEMBL17774919 0.84 IKBKB (0.39) IKBKBHTTPOLBL3MBTL1GRK6
SCHEMBL17774938 0.84 IKBKB (0.39) IKBKBHTTGRK6ALDH1A1MAPT
SCHEMBL17774971 0.82 IKBKB (0.37) IKBKBHTTGRK6ALDH1A1MAPT
SCHEMBL17774940 0.78 IKBKB (0.44) IKBKBHTTMCL1POLBGRK6
SCHEMBL17774948 0.77 IKBKB (0.40) IKBKBHTTMCL1POLBL3MBTL1
SCHEMBL17774969 0.76 IKBKB (0.37) IKBKBHTTALDH1A1MAPTHPGD
SCHEMBL17774921 0.75 SLC16A3 (0.39) IKBKBHTTMCL1BCL2L1ALDH1A1
SCHEMBL17774945 0.75 IKBKB (0.41) IKBKBHTTMCL1POLBGRK6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9872822-B2 Process for dyeing in the presence of oxidation bases comprising at least one sulfonic, sulfonamide, sulfone, amid or acid group and a metal catalyst, device and ready-to-use composition L'OREAL (FR) 2018-01-23 — — US disclosed
US-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION L'OREAL (FR) 2016-05-26 — — 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-20160143826-A1 PROCESS FOR DYEING IN THE PRESENCE OF OXIDATION BASES COMPRISING AT LEAST ONE SULFONIC, SULFONAMIDE, SULFONE, AMID OR ACID GROUP AND A METAL CATALYST, DEVICE AND READY-TO-USE COMPOSITION KRT18, ARSA, SQOR IKBKB 3089/4885HTT 4143/4885MCL1 4390/4885

“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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