SCHEMBL16890802

SCHEMBL16890802

Cc1ccccc1-c1ccc2c(c1)B1c3ccc(-c4ccccc4)cc3Oc3cccc(c31)O2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA9 Q16790 1/20 0.38
HTR7 P34969 3/20 0.34
MCL1 Q07820 1/20 0.33
ENPP3 O14638 1/20 0.32
ENPP1 P22413 1/20 0.32
CTSD P07339 1/20 0.32
BACE1 P56817 1/20 0.32
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
HTR1A P08908 1/20 0.32
TSHR P16473 4/20 0.31
ALDH1A1 P00352 3/20 0.31
CYP2C19 P33261 3/20 0.31
CLK4 Q9HAZ1 3/20 0.31
MAPK1 P28482 2/20 0.31
HIF1A Q16665 1/20 0.31
NR1H4 Q96RI1 1/20 0.31
EDNRB P24530 1/20 0.31
EDNRA P25101 1/20 0.31

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
SCHEMBL16890797 1.00 CA12 (0.38) CA12CA9HTR7MCL1ENPP3
SCHEMBL16890804 0.95 CA12 (0.40) CA12CA9HTR7MCL1CTSD
SCHEMBL16890801 0.95 CA12 (0.38) CA12CA9HTR7MCL1ENPP3
SCHEMBL16890792 0.95 CA12 (0.40) CA12CA9HTR7MCL1ENPP3
SCHEMBL16891242 0.94 CA12 (0.38) CA12CA9HTR7MCL1ENPP3
SCHEMBL16891250 0.94 CA12 (0.38) CA12CA9HTR7MCL1ENPP3
SCHEMBL16891246 0.94 CA12 (0.38) CA12CA9HTR7MCL1ENPP3
SCHEMBL16891249 0.94 CA12 (0.38) CA12CA9HTR7MCL1ENPP3
SCHEMBL16891243 0.93 CA12 (0.36) CA12CA9HTR7MCL1ENPP3
SCHEMBL16891245 0.93 CA12 (0.39) CA12CA9HTR7MCL1ENPP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2020109269-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
US-20200144514-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-05-07 US disclosed
US-20200144515-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-05-07 US disclosed
US-20200144513-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-05-07 US disclosed
US-10374166-B2 Polycyclic aromatic compound KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2019-08-06 US disclosed
EP-3345911-A1 POLYCYCLIC AROMATIC COMPOUNDS AND THEIR USE AS ORGANIC DEVICE MATERIAL Kwansei Gakuin Educational Foundation (JP) 2018-07-11 EP disclosed
US-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2015-08-20 US disclosed
US-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2015-08-20 US disclosed
WO-2015102118-A1 POLYCYCLIC AROMATIC COMPOUND 学校法人関西学院 2015-07-09 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 (5 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-20150236274-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 CA12 696/4885CA9 512/4885HTR7 4266/4885
US-20200144514-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 CA12 696/4885CA9 512/4885HTR7 4266/4885
US-20200144513-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 CA12 696/4885CA9 512/4885HTR7 4266/4885
US-20200144515-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 CA12 696/4885CA9 512/4885HTR7 4266/4885
US-10374166-B2 Polycyclic aromatic compound PAH, ALK, AOC2 CA12 696/4885CA9 512/4885HTR7 4266/4885

“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.