SCHEMBL2197694

SCHEMBL2197694

Cc1nc2c(OCc3ccc(C(C)(C)C)cc3)cccn2c1CO

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 3/20 0.77
ATP4B P51164 3/20 0.77
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
BLM P54132 1/20 0.57
PMP22 Q01453 1/20 0.57
KMT2A Q03164 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
GUCY1B2 O75343 8/20 0.49
GUCY1A2 P33402 8/20 0.49
GUCY1A1 Q02108 8/20 0.49
GUCY1B1 Q02153 8/20 0.49
CYP2C19 P33261 1/20 0.46
PSEN1 P49768 2/20 0.45
PSEN2 P49810 2/20 0.45
APH1B Q8WW43 2/20 0.45

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
SCHEMBL11098130 0.90 ATP4A (0.75) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL11069836 0.87 ATP4A (0.82) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL1813915 0.87 ATP4A (1.00) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL11095980 0.87 ATP4A (0.78) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL2192096 0.86 ATP4A (0.80) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL11384760 0.86 ATP4A (0.80) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL2191920 0.81 ATP4A (0.71) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL7504054 0.79 CYP3A4 (0.73) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL10562292 0.79 ATP4A (0.68) ATP4AATP4BCYP1A2CYP3A4CYP2D6
SCHEMBL11094486 0.79 ATP4A (0.58) ATP4AATP4BCYP1A2CYP3A4CYP2D6

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 17 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
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
EP-0033094-B1 IMIDAZO(1,2-A)PYRIDINES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SCHERING CORPORATION (US) 1984-10-10 EP disclosed
US-4450164-A ANTIULCER AND ANTISECRETORY AGENTS SCHERING CORPORATION (US) 1984-05-22 US disclosed
EP-0033094-A1 Imidazo(1,2-a)pyridines, processes for their preparation and pharmaceutical compositions containing them SCHERING CORPORATION (US) 1981-08-05 EP 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.