SCHEMBL12470685

SCHEMBL12470685

FC(F)(F)c1ccc2sc(-c3cccc(OCc4ccccc4)c3)nc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.52
PPARD Q03181 1/20 0.52
PPARA Q07869 1/20 0.52
NFKB1 P19838 5/20 0.46
RAB9A P51151 5/20 0.46
NFKB2 Q00653 5/20 0.46
RELA Q04206 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
NR4A2 P43354 2/20 0.46
KDM4E B2RXH2 1/20 0.46
F9 P00740 1/20 0.45
F10 P00742 1/20 0.45
NR1H2 P55055 2/20 0.45
NR1H3 Q13133 1/20 0.45
NPC1 O15118 3/20 0.44
HPGD P15428 2/20 0.44
PKM P14618 2/20 0.44

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
SCHEMBL12470428 0.90 NR4A2 (0.46) FFAR1PPARDPPARARAB9ASMN1; SMN2
SCHEMBL12470981 0.84 RAB9A (0.65) FFAR1PPARDPPARANFKB1RAB9A
SCHEMBL2138665 0.83 ILK (0.54) NFKB1RAB9ANFKB2RELASMN1; SMN2
SCHEMBL12470791 0.83 BACE1 (0.53) FFAR1PPARDPPARANFKB1RAB9A
SCHEMBL15462909 0.83 SMN1; SMN2 (0.51) NFKB1RAB9ANFKB2RELASMN1; SMN2
SCHEMBL2140172 0.82 CYP3A4 (0.56) FFAR1PPARDPPARANFKB1RAB9A
SCHEMBL5580509 0.79 LIPG (0.49) PPARDKDM4ENR1H2NR1H3LIPG
SCHEMBL9339102 0.75 TRPV1 (0.48) RAB9ASMN1; SMN2MRGPRX4NR4A2NPC1
SCHEMBL5025938 0.74 MRGPRX4 (0.69) FFAR1PPARAMAPTMRGPRX4NR4A2
SCHEMBL4804958 0.73 MAPT (0.56) NFKB1RAB9ANFKB2RELASMN1; SMN2

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 FFAR1 457/4885PPARD 4/4885PPARA 2/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD FFAR1 104/4885PPARD 3/4885PPARA 2/4885

“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.