SCHEMBL12470638

SCHEMBL12470638

COc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.66
RAB9A P51151 5/20 0.66
SMN1; SMN2 Q16637 4/20 0.66
ALDH1A1 P00352 3/20 0.66
PKM P14618 2/20 0.66
KDM4E B2RXH2 2/20 0.66
SLC2A1 P11166 1/20 0.58
TP53 P04637 2/20 0.56
HPGD P15428 2/20 0.56
MEN1 O00255 2/20 0.56
LMNA P02545 2/20 0.56
KMT2A Q03164 2/20 0.56
POLB P06746 1/20 0.56
NFKB1 P19838 2/20 0.55
NFKB2 Q00653 2/20 0.55
RELA Q04206 2/20 0.55
TSHR P16473 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALOX5 P09917 1/20 0.55
EPHX2 P34913 1/20 0.55

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
SCHEMBL419326 0.89 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL14494924 0.89 NPC1 (0.60) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL12837269 0.88 ALOX5 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL7574964 0.87 NPC1 (0.58) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL17393503 0.87 RAB9A (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL15456996 0.84 NPBWR1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL23758272 0.84 NPC1 (0.64) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL2478174 0.84 NPC1 (0.68) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL1662751 0.84 NPC1 (0.70) NPC1RAB9ASMN1; SMN2ALDH1A1PKM
SCHEMBL6124301 0.83 NPC1 (0.71) NPC1RAB9ASMN1; SMN2ALDH1A1PKM

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-20220105076-A1 Inhibitor for V-Atpase Activity, Antibacterial Agent, Medicine, Antibacterial Method and Screening Method JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2022-04-07 US disclosed
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 NPC1 3522/4885RAB9A 3882/4885SMN1; SMN2 3671/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD NPC1 3207/4885RAB9A 4420/4885SMN1; SMN2 4087/4885
US-20220105076-A1 Inhibitor for V-Atpase Activity, Antibacterial Agent, Medicine, Antibacterial Method and Screening Method ATP6V1E1, ATP6V1G1, ATP6AP1 NPC1 181/4885RAB9A 1805/4885SMN1; SMN2 4610/4885

“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.