SCHEMBL13680560

SCHEMBL13680560

COc1ccc(-c2ccc(C)o2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 2/20 0.59
NQO2 P16083 2/20 0.54
EGFR P00533 1/20 0.53
ALDH1A1 P00352 5/20 0.49
MAPT P10636 4/20 0.49
KDM4E B2RXH2 3/20 0.49
PKM P14618 2/20 0.49
HPGD P15428 3/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
MEN1 O00255 1/20 0.47
TP53 P04637 1/20 0.47
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
MAOB P27338 2/20 0.46
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46

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
SCHEMBL23197679 0.84 TDP1 (0.56) GSK3BNQO2ALDH1A1MAPTKDM4E
SCHEMBL18551784 0.83 GSK3B (0.56) GSK3BALDH1A1MAPTKDM4EHPGD
SCHEMBL4880543 0.81 HPGD (0.69) GSK3BALDH1A1MAPTKDM4EHPGD
SCHEMBL2319851 0.78 TDP1 (0.48) GSK3BNQO2ALDH1A1MAPTKDM4E
SCHEMBL13680485 0.77 PRMT1 (0.51) GSK3BTSHR
SCHEMBL13990243 0.77 ALDH1A1 (0.70) GSK3BALDH1A1MAPTKDM4EHPGD
SCHEMBL12578009 0.76 TDP1 (0.67) GSK3BALDH1A1MAPTKDM4EPKM
SCHEMBL3500179 0.76 KDM4E (0.64) GSK3BNQO2EGFRALDH1A1MAPT
SCHEMBL13680520 0.76 LMNA (0.53) GSK3BNQO2ALDH1A1MAPTKDM4E
SCHEMBL12669250 0.76 TDP1 (0.46) GSK3BNQO2ALDH1A1MAPTKDM4E

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067669-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2024-02-29 US disclosed
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INST MEDICAL RES (US) 2017-05-18 US disclosed
US-9428522-B2 Piperazines, pharmaceutical compositions and methods of use thereof THE FEINSTEIN INSTITUTE FOR MEDICAL RESEARCH (US) 2016-08-30 US disclosed
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH 2014-11-20 US disclosed
US-8822472-B2 Piperazines, pharmaceutical compositions and methods of use thereof CORNERSTONE THERAPEUTICS, INC. (US) 2014-09-02 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-7582658-B2 Bicyclic compound ASAHI KASEI PHARMA CORPORATION (JP) 2009-09-01 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US disclosed
US-20080312435-A1 Imine Compound TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-12-18 US 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 (4 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-20240067669-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND ELECTRONIC APPARATUS INCLUDING THE ORGANIC LIGHT-EMITTING DEVICE C1S, CHRM1, C1R GSK3B 3951/4885NQO2 2415/4885EGFR 1602/4885
US-20080312435-A1 Imine Compound CNR1, CNR2, HRH4 GSK3B 3430/4885NQO2 3941/4885EGFR 285/4885
US-20140343059-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA2 GSK3B 2322/4885NQO2 978/4885EGFR 4253/4885
US-20170136007-A1 NOVEL PIPERAZINES, PHARMACEUTICAL COMPOSITIONS AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRM5 GSK3B 4071/4885NQO2 1001/4885EGFR 4326/4885

“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.