SCHEMBL17779232

SCHEMBL17779232

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.40
▸ IKBKB O14920 2/20 0.38
▸ MCL1 Q07820 4/20 0.33
▸ BCL2L1 Q07817 3/20 0.33
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ GRK6 P43250 1/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ MAPT P10636 2/20 0.31
▸ HPGD P15428 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CDC25B P30305 1/20 0.30
▸ CASP6 P55212 1/20 0.30
▸ RCE1 Q9Y256 1/20 0.30

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
SCHEMBL17774967 0.89 IKBKB (0.40) HTTIKBKBMCL1BCL2L1POLB
SCHEMBL17774938 0.87 IKBKB (0.39) HTTIKBKBGRK6SMN1; SMN2LMNA
SCHEMBL17774919 0.87 IKBKB (0.39) HTTIKBKBPOLBL3MBTL1GRK6
SCHEMBL17774971 0.85 IKBKB (0.37) HTTIKBKBGRK6ALDH1A1MAPT
SCHEMBL17774977 0.84 IGLV6-57 (0.41) HTTIKBKBMCL1POLBL3MBTL1
SCHEMBL17774940 0.79 IKBKB (0.44) HTTIKBKBMCL1POLBGRK6
SCHEMBL17779335 0.77 HTT (0.35) HTTIKBKBSMN1; SMN2LMNAALDH1A1
SCHEMBL17774969 0.77 IKBKB (0.37) HTTIKBKBSMN1; SMN2LMNAALDH1A1
SCHEMBL17779228 0.75 IKBKB (0.38) HTTIKBKBPOLBL3MBTL1SMN1; SMN2
SCHEMBL17774974 0.75 IKBKB (0.38) IKBKBSMN1; SMN2LMNAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HTT 4143/4885IKBKB 3089/4885MCL1 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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