SCHEMBL2194083

SCHEMBL2194083

Cc1ccc(-c2c[c]ccc2O)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.41
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
COMT P21964 1/20 0.37
ACHE P22303 2/20 0.36
PON1 P27169 1/20 0.36
MCL1 Q07820 1/20 0.34
CA12 O43570 2/20 0.34
CA9 Q16790 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
POLB P06746 1/20 0.33
IDO1 P14902 1/20 0.33
TRPA1 O75762 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PIM1 P11309 1/20 0.32
RPS6KA3 P51812 1/20 0.32
MIF P14174 1/20 0.32

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
SCHEMBL9988102 0.84 BACE1 (0.38) BACE1ALOX15ALOX12COMTACHE
SCHEMBL5465470 0.83 ESR1 (0.42) ALOX15CA12CA9MEN1KMT2A
SCHEMBL27688204 0.80 PIK3CA (0.38) MEN1KMT2ANPC1RAB9APOLB
SCHEMBL2196851 0.79 BCL2L1 (0.54) BACE1ALOX15ALOX12MEN1KMT2A
SCHEMBL5465416 0.76 APP (0.52)
SCHEMBL3544339 0.75 ACHE (0.35) ACHEMEN1KMT2ANPC1RAB9A
SCHEMBL5899213 0.72 HPGD (0.35) ALOX15ACHEMEN1KMT2ATDP1
SCHEMBL29019397 0.72 PTGS2 (0.40) BACE1ACHEMEN1KMT2ANPC1
SCHEMBL28325875 0.72 ALDH1A1 (0.36) ACHENPC1RAB9ATDP1PTGS1
SCHEMBL14283893 0.71 BACE1 (0.55) BACE1ALOX15ALOX12COMTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9522868-B2 Tetrakis(ether-substituted formylphenyl) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-12-20 US disclosed
US-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2016-01-21 US disclosed
US-8921613-B2 Polynuclear poly(phenol) family HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2014-12-30 US disclosed
US-20120277479-A1 NOVEL POLYNUCLEAR POLY(PHENOL) FAMILY HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2012-11-01 US disclosed
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME HONSHU CHEMICAL INDUSTRY CO., LTD. (JP) 2011-07-14 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 (3 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-20160016884-A1 NEW TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AHR, PAH, ALK BACE1 4202/4885ALOX15 1023/4885ALOX12 724/4885
US-20120277479-A1 NOVEL POLYNUCLEAR POLY(PHENOL) FAMILY PAH, C1S, AP1S1 BACE1 4488/4885ALOX15 2933/4885ALOX12 2578/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT BACE1 4702/4885ALOX15 1456/4885ALOX12 973/4885

“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.