SCHEMBL3758992

SCHEMBL3758992

N#Cc1ccc(Sc2ccc(O)cc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.73
CA2 P00918 1/20 0.73
CA3 P07451 1/20 0.73
CA6 P23280 1/20 0.73
CA9 Q16790 1/20 0.73
CA14 Q9ULX7 1/20 0.73
MAOA P21397 6/20 0.65
MAOB P27338 6/20 0.65
MMP3 P08254 1/20 0.64
NR1H2 P55055 1/20 0.64
CYP19A1 P11511 6/20 0.45
P4HB P07237 1/20 0.43
ENPP2 Q13822 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2A6 P11509 1/20 0.41
VCP P55072 1/20 0.41

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
SCHEMBL3394075 0.88 MAOB (0.81) CA12CA2CA3CA6CA9
4-Cyanophenol SCHEMBL28811803 0.85 CA2 (1.00) CA12CA2CA3CA6CA9
4-Cyanophenol SCHEMBL27294505 0.85 CA2 (1.00) CA12CA2CA3CA6CA9
4-Cyanophenol SCHEMBL50814 0.85
Cyanate SCHEMBL9244238 0.83 NR1H2 (0.74) CA12CA2CA3CA6CA9
4-Cyanophenol SCHEMBL27413520 0.83 CA2 (0.94) CA12CA2CA3CA6CA9
4-Cyanophenol SCHEMBL28089570 0.83 CA2 (0.94) CA12CA2CA3CA6CA9
4-Cyanophenol SCHEMBL7393582 0.83 CA2 (0.94) CA12CA2CA3CA6CA9
4-Cyanophenol SCHEMBL10685886 0.83 CA2 (0.94) CA12CA2CA3CA6CA9
SCHEMBL7289176 0.81 MAOA (0.53) CA12CA2CA3CA6CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3553129-B1 CURING RESIN COMPOSITION, CURED PRODUCT OF, AND CURING METHOD FOR, CURING RESIN COMPOSITION, AND SEMICONDUCTOR DEVICE ENEOS CORP (JP) 2023-11-22 EP disclosed
US-20210070779-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2021-03-11 US disclosed
US-20210070779-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2021-03-11 US disclosed
US-20200207789-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2020-07-02 US disclosed
US-20200207789-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS INC (US) 2020-07-02 US disclosed
EP-3553129-A1 CURING RESIN COMPOSITION, CURED PRODUCT OF, AND CURING METHOD FOR, CURING RESIN COMPOSITION, AND SEMICONDUCTOR DEVICE JXTG Nippon Oil & Energy Corporation (JP) 2019-10-16 EP disclosed
US-20180291040-A1 Boron-Containing Small Molecules As Anti-Inflammatory Agents ANACOR PHARMACEUTICALS INC (US) 2018-10-11 US disclosed
US-20160200743-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. 2016-07-14 US disclosed
US-20160200743-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. 2016-07-14 US disclosed
WO-2015042532-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2015-03-26 WO disclosed
WO-2015042532-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS ANACOR PHARMACEUTICALS, INC. (US) 2015-03-26 WO disclosed
WO-2010136940-A1 NOVEL GLUCOCORTICOID RECEPTOR AGONISTS PFIZER LIMITED (GB) 2010-12-02 WO disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists GLOSSOP PAUL ALAN 2010-12-02 US disclosed
US-6242654-B1 REACTING A PHENOLATE COMPOUND WITH AN ORGANIC FLUORINATING AGENT TO PREPARE A FLUORINE SUBSTITUTED AROMATIC COMPOUND MITSUI CHEMICALS, INC. (JP) 2001-06-05 US disclosed
EP-1013629-A1 Preparation process of fluorine subsituted aromatic compound Mitsui Chemicals, Inc. (JP) 2000-06-28 EP 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-20160200743-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, LITAF, TNF CA12 1548/4885CA2 1112/4885CA3 3542/4885
US-20210070779-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, TNF, LITAF CA12 1428/4885CA2 964/4885CA3 3626/4885
US-20100303758-A1 Novel Glucocorticoid Receptor Agonists NR3C1, NR3C2, MC2R CA12 4577/4885CA2 3320/4885CA3 4695/4885
US-20200207789-A1 BORON-CONTAINING SMALL MOLECULES AS ANTI-INFLAMMATORY AGENTS NFKBIA, TNF, LITAF CA12 1428/4885CA2 964/4885CA3 3626/4885
US-20180291040-A1 Boron-Containing Small Molecules As Anti-Inflammatory Agents NFKBIA, TNF, LITAF CA12 1428/4885CA2 964/4885CA3 3626/4885

“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.