SCHEMBL12470883

SCHEMBL12470883

COc1ccc(C2NCCS2)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ERN1 O75460 1/20 0.53
CA2 P00918 3/20 0.43
ALDH1A1 P00352 4/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CYP3A4 P08684 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2C8 P10632 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP4B1 P13584 1/20 0.41

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
SCHEMBL11401034 0.81 ERN1 (0.52) MEN1KMT2AERN1ALDH1A1MAPT
SCHEMBL2084131 0.76 MAPT (0.66) KMT2AERN1ALDH1A1MAPTMAOA
SCHEMBL9778847 0.76 MEN1 (0.50) MEN1KMT2ACA2ALDH1A1CA12
SCHEMBL11399175 0.75 ERN1 (0.63) KMT2AERN1ALDH1A1CYP3A4MAPT
SCHEMBL10671668 0.74 L3MBTL1 (0.68) MEN1KMT2ACA2ALDH1A1MAPT
SCHEMBL9778646 0.73 MEN1 (0.51) MEN1KMT2ACA2ALDH1A1CA12
SCHEMBL2084236 0.72 GFER (0.56) ERN1ALDH1A1MAPTKDM4ESMN1; SMN2
SCHEMBL3328962 0.71 MEN1 (1.00) MEN1KMT2ACA2ALDH1A1CA12
SCHEMBL2707057 0.70 HTR2C (0.63) MEN1KMT2ACA2ALDH1A1KDM4E
SCHEMBL12470606 0.70 ERN1 (0.54) MEN1KMT2AERN1ALDH1A1MAPT

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
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 claimed
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 MEN1 4838/4885KMT2A 2641/4885ERN1 3831/4885
US-20140037564-A1 NOVEL COMPOUND HAVING SKIN-WHITENING, ANTI-OXIDIZING AND PPAR ACTIVITIES AND MEDICAL USE THEREFOR PPARG, PPARA, PPARD MEN1 4685/4885KMT2A 3139/4885ERN1 4132/4885

“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.