SCHEMBL2190332

SCHEMBL2190332

Oc1cc[c]c(C2CCCCC2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.36
ACMSD Q8TDX5 2/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.33
NUDT1 P36639 1/20 0.33
BACE1 P56817 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
MIF P14174 1/20 0.32
KMO O15229 1/20 0.32
DEGS1 O15121 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL8934770 0.94 ESR2 (0.35) HSP90AB1HDAC4HDAC2HDAC8ESR2
SCHEMBL1778645 0.78 KMO (0.40) ACMSDMAPTBACE1HSP90AA1HDAC4
SCHEMBL434766 0.77 CEL (0.36) ALDH1A1
SCHEMBL434060 0.77 PTGDR (0.35) MAPT
SCHEMBL7838303 0.77 PTGDR2 (0.35) ALDH1A1POLB
SCHEMBL10631828 0.77 CEL (0.36) ALDH1A1
SCHEMBL433060 0.77 PTGDR2 (0.35) ALDH1A1POLB
SCHEMBL1777247 0.77 NPC1 (0.38) ALDH1A1MAPT
SCHEMBL28299092 0.76 HDAC8 (0.38) ACMSDMAPTPOLBBACE1HSP90AA1
SCHEMBL9730874 0.74 PTGDR2 (0.33)

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 6 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
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 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 (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 HSP90AB1 4414/4885ACMSD 1029/4885ALDH1A1 1415/4885
US-20120277479-A1 NOVEL POLYNUCLEAR POLY(PHENOL) FAMILY PAH, C1S, AP1S1 HSP90AB1 4406/4885ACMSD 1524/4885ALDH1A1 3913/4885
US-20110172457-A1 TETRAKIS(ETHER-SUBSTITUTED FORMYLPHENYL) AND NEW POLYNUCLEAR POLYPHENOL DERIVED FROM THE SAME AHR, PAH, ARNT HSP90AB1 3856/4885ACMSD 1637/4885ALDH1A1 2089/4885

“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.