SCHEMBL2193763

SCHEMBL2193763

Cc1nc2cccc(OCc3ccccc3)n2c1CC#N

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 7/20 0.55
ATP4B P51164 7/20 0.55
CYP1A2 P05177 2/20 0.55
CYP3A4 P08684 2/20 0.55
MAPK1 P28482 2/20 0.55
MEN1 O00255 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55
KMT2A Q03164 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.38
KDM5A P29375 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
TSHR P16473 2/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
STAT3 P40763 1/20 0.36

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
SCHEMBL2193253 0.80 L3MBTL1 (0.44) ATP4AATP4BCYP1A2MAPK1L3MBTL1
SCHEMBL2190372 0.77 ATP4A (0.44) ATP4AATP4BCYP1A2CYP3A4MAPK1
SCHEMBL11063006 0.76 ATP4A (0.67) ATP4AATP4BCYP1A2CYP3A4MAPK1
SCHEMBL2193356 0.75 ATP4A (0.60) ATP4AATP4BCYP1A2CYP3A4MAPK1
SCHEMBL2191189 0.74 ATP4A (0.64) ATP4AATP4BCYP1A2CYP3A4MAPK1
SCHEMBL10531597 0.72 ATP4A (0.69) ATP4AATP4BCYP1A2CYP3A4MAPK1
SCHEMBL11101851 0.72 ATP4A (0.66) ATP4AATP4BCYP1A2CYP3A4MAPK1
SCHEMBL3756920 0.71 ALDH1A1 (0.40) CYP1A2CYP3A4CYP2D6CYP2C9L3MBTL1
SCHEMBL1815961 0.71 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4MAPK1
SCHEMBL2192822 0.70 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150086497-A1 Skin Lightening Compositions ELC MAN LLC (US) 2015-03-26 US claimed
US-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 US claimed
EP-2521531-B1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-07-12 EP disclosed
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS ELC MAN LLC (US) 2017-02-09 US disclosed
EP-3103437-A1 SKIN LIGHTENING COMPOSITIONS ELC Management LLC (US) 2016-12-14 EP disclosed
US-9314415-B2 Skin lightening compositions ELC MANAGEMENT LLC (US) 2016-04-19 US disclosed
US-8992897-B2 Skin lightening compositions ELC MANAGEMENT LLC (US) 2015-03-31 US disclosed
US-20150086497-A1 Skin Lightening Compositions ELC MAN LLC (US) 2015-03-26 US disclosed
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS NIKI YOKO (JP) 2014-07-31 US disclosed
US-20140154190-A1 Skin Lightening Compositions ELC MANAGEMENT, LLC (US) 2014-06-05 US disclosed
US-8722026-B2 Skin lightening compositions ELC MANAGEMENT, LLC (US) 2014-05-13 US disclosed
US-20140112877-A1 SKIN LIGHTENING COMPOSITIONS NIKI YOKO (JP) 2014-04-24 US disclosed
EP-2521531-A2 SKIN LIGHTENING COMPOSITIONS ELC Management LLC (US) 2012-11-14 EP disclosed
US-20110171149-A1 Skin Lightening Compositions ELC MANAGEMENT LLC 2011-07-14 US disclosed
WO-2011085015-A2 SKIN LIGHTENING COMPOSITIONS ELC MANAGEMENT LLC (US) 2011-07-14 WO disclosed
US-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 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 (6 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-20110171149-A1 Skin Lightening Compositions CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP1A2 1093/4885
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP1A2 1093/4885
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP1A2 1093/4885
US-20140154190-A1 Skin Lightening Compositions TYR, MC1R, AHR ATP4A 3964/4885ATP4B 4059/4885CYP1A2 290/4885
US-20140112877-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP1A2 1093/4885
US-20150086497-A1 Skin Lightening Compositions CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885CYP1A2 1093/4885

“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.