SCHEMBL12470914

SCHEMBL12470914

Oc1cc(O)cc(-c2nc3cc(C(F)(F)F)ccc3s2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 2/20 0.52
DYRK1A Q13627 1/20 0.49
AGPAT2 O15120 3/20 0.46
RAB9A P51151 3/20 0.46
LMNA P02545 2/20 0.46
POLB P06746 2/20 0.46
NFKB1 P19838 2/20 0.46
NFKB2 Q00653 2/20 0.46
RELA Q04206 2/20 0.46
TP53 P04637 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
APP P05067 4/20 0.45
KDM4E B2RXH2 3/20 0.43
NPC1 O15118 2/20 0.42
ALDH1A1 P00352 2/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL4804958 0.88 MAPT (0.56) ILKDYRK1AAGPAT2RAB9ALMNA
SCHEMBL15455776 0.85 ILK (0.49) ILKDYRK1AAGPAT2RAB9APOLB
SCHEMBL12470892 0.83 ILK (0.50) ILKDYRK1AAGPAT2RAB9ALMNA
SCHEMBL2138665 0.82 ILK (0.54) ILKDYRK1AAGPAT2RAB9ALMNA
SCHEMBL12470848 0.81 AHR (0.52) ILKDYRK1AAGPAT2RAB9ATP53
SCHEMBL12471082 0.81 KDM4E (0.62) ILKDYRK1AAGPAT2RAB9ASMN1; SMN2
SCHEMBL8704110 0.81 KDM4E (0.55) ILKDYRK1AAGPAT2RAB9ALMNA
SCHEMBL12470942 0.80 ILK (0.47) ILKDYRK1AAGPAT2RAB9APOLB
SCHEMBL3055139 0.79 MAPT (0.69) ILKRAB9APOLBNFKB1NFKB2
SCHEMBL12470403 0.77 ILK (0.56) ILKDYRK1AAGPAT2RAB9ALMNA

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 6 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

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 ILK 4882/4885DYRK1A 3727/4885AGPAT2 1428/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD ILK 4869/4885DYRK1A 3884/4885AGPAT2 1296/4885

“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.