SCHEMBL12470970

SCHEMBL12470970

c1ccc(COc2ccc(-c3nc4ccccc4s3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.64
NPC1 O15118 5/20 0.64
KDM4E B2RXH2 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
PKM P14618 1/20 0.64
GAA P10253 3/20 0.60
ALDH1A1 P00352 2/20 0.60
GLA P06280 2/20 0.60
MAPT P10636 2/20 0.60
LMNA P02545 1/20 0.60
ATP4A P20648 4/20 0.58
ATP4B P51164 4/20 0.58
MAPK1 P28482 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
APP P05067 2/20 0.56
MMP9 P14780 1/20 0.56
MMP8 P22894 1/20 0.56
MGAM O43451 1/20 0.56
SI P14410 1/20 0.56
MGAM2 Q2M2H8 1/20 0.56

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
SCHEMBL12470981 0.86 RAB9A (0.65) RAB9ANPC1KDM4ESMN1; SMN2PKM
SCHEMBL12545761 0.86 RAB9A (0.54) RAB9ANPC1KDM4ESMN1; SMN2PKM
SCHEMBL3671723 0.85 GAA (0.50) RAB9ANPC1KDM4ESMN1; SMN2PKM
SCHEMBL5568975 0.85 RAB9A (0.64) RAB9ANPC1KDM4ESMN1; SMN2PKM
SCHEMBL2140172 0.84 CYP3A4 (0.56) RAB9ANPC1KDM4ESMN1; SMN2PKM
SCHEMBL12470554 0.84 HTT (0.61) RAB9ANPC1KDM4ESMN1; SMN2PKM
SCHEMBL13198328 0.84 KDM4E (0.70) RAB9ANPC1KDM4ESMN1; SMN2PKM
SCHEMBL24133664 0.81 CYP3A4 (0.70) RAB9ANPC1KDM4ESMN1; SMN2PKM
SCHEMBL15462904 0.81 ATP4A (0.83) RAB9ANPC1KDM4ESMN1; SMN2PKM
SCHEMBL12470428 0.81 NR4A2 (0.46) RAB9ANPC1KDM4ESMN1; SMN2PKM

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 RAB9A 3882/4885NPC1 3522/4885KDM4E 3430/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD RAB9A 4420/4885NPC1 3207/4885KDM4E 3588/4885

“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.