SCHEMBL2193356

SCHEMBL2193356

Cc1nc2ccc(OCc3ccccc3)cn2c1CC#N

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 6/20 0.60
ATP4B P51164 6/20 0.60
MEN1 O00255 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
MAPK1 P28482 1/20 0.60
BLM P54132 1/20 0.60
PMP22 Q01453 1/20 0.60
KMT2A Q03164 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
MCHR1 Q99705 3/20 0.46
MAOB P27338 5/20 0.43
ALOX5 P09917 1/20 0.40
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL2191189 0.82 ATP4A (0.64) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL2193505 0.80 ATP4A (0.60) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL11070613 0.78 ATP4A (0.55) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL2195615 0.76 ATP4A (0.47) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL1815961 0.75 ATP4A (1.00) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL2193763 0.75 ATP4A (0.55) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL10531597 0.74 ATP4A (0.69) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL2192822 0.74 ATP4A (1.00) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL10686609 0.70 ATP4A (0.74) ATP4AATP4BMEN1CYP1A2CYP3A4
SCHEMBL11063006 0.70 ATP4A (0.67) ATP4AATP4BMEN1CYP1A2CYP3A4

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 3659/4885MEN1 2283/4885
US-20140212365-A9 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885MEN1 2283/4885
US-20170035672-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885MEN1 2283/4885
US-20140154190-A1 Skin Lightening Compositions TYR, MC1R, AHR ATP4A 3964/4885ATP4B 4059/4885MEN1 2744/4885
US-20140112877-A1 SKIN LIGHTENING COMPOSITIONS CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885MEN1 2283/4885
US-20150086497-A1 Skin Lightening Compositions CUTA, TYR, DSG1 ATP4A 3312/4885ATP4B 3659/4885MEN1 2283/4885

“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.