Sugi Predict

Sugi Predict / Compounds / SCHEMBL16890846

SCHEMBL16890846

SCHEMBL16890846

Cc1ccccc1-c1ccc2c(c1)Oc1ccc(-c3ccccc3C)c3c1B2c1ccc(-c2ccccc2)cc1O3

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 1/20 0.37
▸ CA9 Q16790 1/20 0.37
▸ MCL1 Q07820 1/20 0.33
▸ ENPP3 O14638 1/20 0.32
▸ ENPP1 P22413 1/20 0.32
▸ CTSD P07339 1/20 0.31
▸ BACE1 P56817 1/20 0.31
▸ GRIA1 P42261 1/20 0.31
▸ CACNG8 Q8WXS5 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ SLC6A9 P48067 1/20 0.30
▸ TSHR P16473 3/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ RAB9A P51151 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ CYP1A2 P05177 2/20 0.30
▸ CYP3A4 P08684 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
SCHEMBL16890826 1.00 CA12 (0.37) CA12CA9MCL1ENPP3ENPP1
SCHEMBL16890825 0.98 CA12 (0.33) CA12CA9ENPP3ENPP1SLC6A9
SCHEMBL16889811 0.97 CA12 (0.35) CA12CA9MCL1ENPP3ENPP1
SCHEMBL16891220 0.97 CA12 (0.35) CA12CA9MCL1ENPP3ENPP1
SCHEMBL16889813 0.97 CA12 (0.35) CA12CA9MCL1ENPP3ENPP1
SCHEMBL16891224 0.97 CA12 (0.35) CA12CA9MCL1ENPP3ENPP1
SCHEMBL16890822 0.95 CA12 (0.37) CA12CA9MCL1ENPP3ENPP1
SCHEMBL16890844 0.95 CA12 (0.37) CA12CA9MCL1ENPP3ENPP1
SCHEMBL16890821 0.95 CA12 (0.40) CA12CA9MCL1CTSDBACE1
SCHEMBL16891229 0.94 CA12 (0.32) CA12CA9

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-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
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 512/4885MCL1 2266/4885
US-20200144514-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 CA12 696/4885CA9 512/4885MCL1 2266/4885
US-20200144513-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 CA12 696/4885CA9 512/4885MCL1 2266/4885
US-20200144515-A1 POLYCYCLIC AROMATIC COMPOUND PAH, ALK, AOC2 CA12 696/4885CA9 512/4885MCL1 2266/4885
US-10374166-B2 Polycyclic aromatic compound PAH, ALK, AOC2 CA12 696/4885CA9 512/4885MCL1 2266/4885

“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.