SCHEMBL16890812

SCHEMBL16890812

Cc1ccccc1-c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)c3c4c2Oc2ccccc2B4c2ccccc2O3)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP3 O14638 1/20 0.37
ENPP1 P22413 1/20 0.37
TSHR P16473 3/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MCL1 Q07820 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ESR2 Q92731 1/20 0.33
GRIA1 P42261 1/20 0.32
CACNG8 Q8WXS5 1/20 0.32
GPR84 Q9NQS5 1/20 0.32
HTR7 P34969 2/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP1A2 P05177 2/20 0.30

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
SCHEMBL16890823 0.96 CA12 (0.36) ENPP3ENPP1TSHRCA12CA9
SCHEMBL17013603 0.94 NPC1 (0.33) ENPP3ENPP1TSHRALDH1A1MCL1
SCHEMBL17013600 0.94 NPC1 (0.33) ENPP3ENPP1TSHRALDH1A1MCL1
SCHEMBL17013598 0.94 NPC1 (0.33) ENPP3ENPP1TSHRALDH1A1MCL1
SCHEMBL17013596 0.94 NPC1 (0.33) ENPP3ENPP1TSHRALDH1A1MCL1
SCHEMBL16891089 0.93 NPC1 (0.34) ENPP3ENPP1TSHRALDH1A1NPC1
SCHEMBL16890814 0.92 HTR7 (0.35) ENPP3ENPP1TSHRCA12CA9
SCHEMBL16890813 0.91 ESR2 (0.38) ESR2GPR84
SCHEMBL16890816 0.91 HTR7 (0.38) ENPP3ENPP1TSHRCA12CA9
SCHEMBL17013604 0.91 CA12 (0.32) CA12CA9MCL1NPC1RAB9A

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 12 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
WO-2020109269-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
US-20200144513-A1 POLYCYCLIC AROMATIC COMPOUND KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2020-05-07 US 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-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 2813/4885TSHR 4594/4885
US-20200144514-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 ENPP3 2502/4885ENPP1 2813/4885TSHR 4594/4885
US-20200144513-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 ENPP3 2502/4885ENPP1 2813/4885TSHR 4594/4885
US-20200144515-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 ENPP3 2502/4885ENPP1 2813/4885TSHR 4594/4885
US-10374166-B2 Polycyclic aromatic compound PAH, ALK, AOC2 ENPP3 2502/4885ENPP1 2813/4885TSHR 4594/4885

“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.