SCHEMBL16218316

SCHEMBL16218316

CCCON1CN(S(=O)(=O)CCC)CN(S(=O)(=O)CCC)C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.34
ALDH1A1 P00352 6/20 0.34
KDM4E B2RXH2 5/20 0.34
LMNA P02545 3/20 0.34
HTT P42858 1/20 0.34
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
GLA P06280 1/20 0.33
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP1A2 P05177 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
USP2 O75604 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
SCHEMBL14502797 0.85 ALDH1A1 (0.32) MAPTALDH1A1KDM4ELMNAHTT
SCHEMBL14533005 0.82 L3MBTL1 (0.43) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL14951100 0.80 L3MBTL1 (0.42) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL16186774 0.71 MAPT (0.32) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL21954013 0.69 L3MBTL1 (0.36) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL23555007 0.68 L3MBTL1 (0.56) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL26201832 0.67 POLB (0.37) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL178417 0.65 L3MBTL1 (0.49) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL31030375 0.65 L3MBTL1 (0.49) MAPTTSHRL3MBTL1ALDH1A1KDM4E
SCHEMBL4277869 0.63 L3MBTL1 (0.47) TSHRL3MBTL1ALDH1A1KDM4ELMNA

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
US-9565915-B2 Compositions and methods for altering the appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
US-9566221-B2 Methods for altering the color and appearance of hair L'OREAL (FR) 2017-02-14 US disclosed
US-20150265513-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR L'OREAL (FR) 2015-09-24 US disclosed
US-20140326270-A1 COMPOSITIONS AND METHODS FOR ALTERING THE APPEARANCE OF HAIR L'OREAL (FR) 2014-11-06 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-20150265513-A1 METHODS FOR ALTERING THE COLOR AND APPEARANCE OF HAIR COXFA4L2, TYR, COX5A MAPT 2207/4885TSHR 4564/4885L3MBTL1 4517/4885

“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.