SCHEMBL12470567

SCHEMBL12470567

COc1ccc(-c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.62
MEN1 O00255 4/20 0.62
KMT2A Q03164 4/20 0.62
LMNA P02545 2/20 0.62
NPSR1 Q6W5P4 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
CYP1A2 P05177 1/20 0.62
CYP3A4 P08684 1/20 0.62
CYP2D6 P10635 1/20 0.62
CYP2C9 P11712 1/20 0.62
CYP2C19 P33261 1/20 0.62
AMY1A P0DUB6 5/20 0.58
NPBWR1 P48145 7/20 0.58
HTT P42858 4/20 0.58
RAB9A P51151 4/20 0.58
NPC1 O15118 3/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
GAA P10253 2/20 0.58
NFKB1 P19838 2/20 0.58
MAPK1 P28482 2/20 0.58

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
SCHEMBL12470543 0.91 AMY1A (0.61) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL2244677 0.91 NPBWR1 (0.60) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL12471484 0.86 AMY1A (0.72) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL31154110 0.83 AMY1A (0.63) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL2244388 0.83 NPBWR1 (0.81) MAPTMEN1KMT2ALMNAAMY1A
SCHEMBL7393888 0.82 AMY1A (0.67) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL5566197 0.81 NPC1 (0.78) MAPTMEN1KMT2ALMNANPBWR1
SCHEMBL16329713 0.80 CYP1A1 (0.55) MAPTMEN1KMT2ALMNANPSR1
SCHEMBL12471625 0.80 CYP1A1 (0.58) MAPTMEN1KMT2ANPSR1CYP1A2
SCHEMBL12470997 0.80 NPBWR1 (0.82) MAPTMEN1KMT2ALMNANPBWR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO claimed
US-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PUSAN NAT UNIV IND COOP FOUND (KR) 2015-12-24 US disclosed
US-9155690-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use thereof PUSAN NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2015-10-13 US disclosed
US-8889881-B2 Compound having skin-whitening, anti-oxidizing and PPAR activities and medical use therefor Pusan National University Industry —University Cooperation Foundation (KR) 2014-11-18 US disclosed
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR Pusan National University Indusrtyuniversity (KR) 2014-02-06 US disclosed
WO-2012108689-A2 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR 부산대학교 산학협력단 (KR) 2012-08-16 WO disclosed
US-20070154732-A1 Dendrimer compound and organic luminescent device employing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-07-05 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 (2 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-20150366776-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREOF PPARG, PPARA, TYR MAPT 1956/4885MEN1 4838/4885KMT2A 2641/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD MAPT 2700/4885MEN1 4685/4885KMT2A 3139/4885

“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.