SCHEMBL12470403

SCHEMBL12470403

Oc1ccccc1-c1nc2cc(C(F)(F)F)ccc2s1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ILK Q13418 4/20 0.56
KDM4E B2RXH2 5/20 0.54
NPC1 O15118 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 2/20 0.54
NPSR1 Q6W5P4 1/20 0.54
AGPAT2 O15120 3/20 0.49
DYRK1A Q13627 1/20 0.47
POLB P06746 3/20 0.47
GAA P10253 2/20 0.47
HSD17B10 Q99714 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
APP P05067 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
CASP1 P29466 1/20 0.47
SNCA P37840 1/20 0.47
CASP7 P55210 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL2789529 0.89 EPHX2 (0.52) ILKKDM4ENPC1MAPTRAB9A
SCHEMBL12471082 0.87 KDM4E (0.62) ILKKDM4ENPC1MAPTRAB9A
SCHEMBL27768432 0.84 MAPT (0.67) ILKKDM4ENPC1MAPTRAB9A
SCHEMBL27769367 0.83 MAPT (0.65) ILKKDM4ENPC1MAPTRAB9A
SCHEMBL13522891 0.83 RAB9A (0.64) ILKKDM4ENPC1MAPTRAB9A
SCHEMBL11011940 0.82 ILK (0.52) ILKKDM4EMAPTNPSR1AGPAT2
SCHEMBL13866526 0.81 KDM4E (0.60) ILKKDM4ENPC1MAPTRAB9A
SCHEMBL13866522 0.80 RAB9A (0.58) ILKKDM4ENPC1MAPTRAB9A
SCHEMBL9952066 0.80 ILK (0.53) ILKKDM4ENPC1MAPTRAB9A
SCHEMBL2138665 0.80 ILK (0.54) ILKKDM4ENPC1MAPTRAB9A

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 4882/4885KDM4E 3430/4885NPC1 3522/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD ILK 4869/4885KDM4E 3588/4885NPC1 3207/4885

“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.