SCHEMBL16890905

SCHEMBL16890905

Cc1ccccc1-c1cc(-c2ccccc2)c2c3c1Oc1cc(-c4ccccc4)ccc1B3c1ccc(-c3ccccc3)cc1O2

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.33
ENPP1 P22413 1/20 0.33
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A9 P48067 1/20 0.32
GAA P10253 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL16890883 0.98 ENPP3 (0.34) ENPP3ENPP1NPC1ALDH1A1HPGD
SCHEMBL16890885 0.98 ENPP3 (0.34) ENPP3ENPP1NPC1ALDH1A1HPGD
SCHEMBL16890908 0.97 NPC1 (0.33) ENPP3ENPP1NPC1ALDH1A1HPGD
SCHEMBL16890902 0.95 MCL1 (0.35) ENPP3ENPP1NPC1ALDH1A1HPGD
SCHEMBL16890859 0.95 ENPP3 (0.36) ENPP3ENPP1NPC1ALDH1A1HPGD
SCHEMBL16890893 0.95 ENPP3 (0.36) ENPP3ENPP1NPC1ALDH1A1HPGD
SCHEMBL16890896 0.92 ENPP3 (0.37) ENPP3ENPP1NPC1ALDH1A1HPGD
SCHEMBL16891258 0.90 ENPP3 (0.33) ENPP3ENPP1NPC1ALDH1A1HPGD
SCHEMBL16890899 0.90 CA12 (0.36) ENPP3ENPP1ALDH1A1TSHR
SCHEMBL16889412 0.89 GPR84 (0.33) NPC1RAB9ASMN1; SMN2GAAL3MBTL1

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-20230058635-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-20230059210-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
WO-2020108899-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-20200144513-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-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 ENPP3 2502/4885ENPP1 2813/4885NPC1 3235/4885
US-20200144514-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 ENPP3 2502/4885ENPP1 2813/4885NPC1 3235/4885
US-20200144513-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 ENPP3 2502/4885ENPP1 2813/4885NPC1 3235/4885
US-20200144515-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 ENPP3 2502/4885ENPP1 2813/4885NPC1 3235/4885
US-10374166-B2 Polycyclic aromatic compound PAH, ALK, AOC2 ENPP3 2502/4885ENPP1 2813/4885NPC1 3235/4885

“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.