SCHEMBL8840880

SCHEMBL8840880

COc1ccc(-c2ccc(OC)c(OC)c2)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.67
ALDH1A1 P00352 6/20 0.61
TSHR P16473 3/20 0.61
TDP1 Q9NUW8 2/20 0.61
CYP3A4 P08684 2/20 0.61
HSD17B10 Q99714 1/20 0.61
CA2 P00918 2/20 0.59
ACHE P22303 1/20 0.59
CA12 O43570 1/20 0.59
CA1 P00915 1/20 0.59
CA7 P43166 1/20 0.59
CA9 Q16790 1/20 0.59
CA14 Q9ULX7 1/20 0.59
PDGFRB P09619 1/20 0.57
PDGFRA P16234 1/20 0.57
KDM4E B2RXH2 4/20 0.55
MAPT P10636 2/20 0.55
THRB P10828 1/20 0.55
ERN1 O75460 1/20 0.55
HPGD P15428 3/20 0.53

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
SCHEMBL16541896 0.90 PDE4A (0.57) PDE4AALDH1A1TSHRTDP1CYP3A4
SCHEMBL18602370 0.88 CA12 (0.67) PDE4AALDH1A1CYP3A4CA2CA12
SCHEMBL1047750 0.88 ACHE (0.67) PDE4AALDH1A1TSHRTDP1CYP3A4
SCHEMBL4533772 0.88 L3MBTL1 (0.62) PDE4AALDH1A1TSHRTDP1HSD17B10
SCHEMBL12333997 0.88 ACHE (0.67) PDE4AALDH1A1TSHRTDP1CYP3A4
SCHEMBL15342384 0.88 PDGFRB (0.57) PDE4AALDH1A1TSHRTDP1CYP3A4
SCHEMBL31042563 0.88 ACHE (0.67) PDE4AALDH1A1TSHRTDP1CYP3A4
SCHEMBL29638816 0.88 CA12 (0.67) PDE4AALDH1A1CYP3A4CA2CA12
SCHEMBL17239836 0.86 NFE2L2 (0.58) PDE4AALDH1A1TSHRTDP1CYP3A4
SCHEMBL7140279 0.86 ALDH1A1 (0.59) PDE4AALDH1A1TSHRTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970353-B1 MANNOSE DERIVATIVES FOR TREATING BACTERIAL INFECTIONS VERTEX PHARMA (US) 2018-04-18 EP disclosed
WO-2016193748-A1 COMPOSITION THE UNIVERSITY OF BIRMINGHAM (GB) 2016-12-08 WO disclosed
US-9469621-B2 Method for producing multisubstituted biphenyl compound and solid catalyst to be used therein KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-10-18 US disclosed
US-20150274689-A1 METHOD FOR PRODUCING MULTISUBSTITUTED BIPHENYL COMPOUND AND SOLID CATALYST TO BE USED THEREIN UBE CORPORATION (JP) 2015-10-01 US disclosed
WO-2011118845-A1 POLYESTER RESIN, AND OPTICAL MATERIALS, FILMS AND IMAGE DISPLAY DEVICES USING THE SAME FUJIFILM CORPORATION (JP) 2011-09-29 WO disclosed
US-7947406-B2 Polymer electrolyte, membrane/electrode assembly, and fuel cell FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-7947406-B2 Polymer electrolyte, membrane/electrode assembly, and fuel cell FUJIFILM CORPORATION (JP) 2011-05-24 US disclosed
US-20070231652-A1 Polymer Electrolyte, Membrane/Electrode Assembly, and Fuel Cell FUJIFILM CORPORATION 2007-10-04 US disclosed
US-20070231652-A1 Polymer Electrolyte, Membrane/Electrode Assembly, and Fuel Cell FUJIFILM CORPORATION 2007-10-04 US disclosed
US-5637669-A THERMOSETTING RESIN; LIQUID CRYSTALLINE POLYMERS THE DOW CHEMICAL COMPANY (US) 1997-06-10 US disclosed
EP-0529439-B1 Switchable columnar liquid crystalline systems HOECHST AG (DE) 1996-02-14 EP disclosed
US-5384068-A Switchable columnar liquid-crystalline systems HOECHST AKTIENGESELLSCHAFT (DE) 1995-01-24 US disclosed
EP-0529439-A1 Switchable columnar liquid crystalline systems HOECHST AKTIENGESELLSCHAFT (DE) 1993-03-03 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 (1 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-20150274689-A1 METHOD FOR PRODUCING MULTISUBSTITUTED BIPHENYL COMPOUND AND SOLID CATALYST TO BE USED THEREIN DDT, CYP1A1, CYP1B1 PDE4A 4609/4885ALDH1A1 97/4885TSHR 1785/4885

“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.