SCHEMBL1758064

SCHEMBL1758064

Cc1cc(C(c2ccc(O)cc2)c2ccc(O)cc2)ccc1C(c1ccc(O)cc1)c1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 9/20 0.41
ESR2 Q92731 8/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
TDP1 Q9NUW8 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGS1 P23219 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PGR P06401 1/20 0.38
CHRM2 P08172 1/20 0.38
CYP3A4 P08684 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
AR P10275 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CHRM1 P11229 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL32675854 0.86 ESR1 (0.47) ESR1ESR2PDCD1CD274TDP1
SCHEMBL7809665 0.86 ESR1 (0.47) ESR1ESR2PDCD1CD274TDP1
SCHEMBL16859729 0.85 ESR1 (0.46) ESR1ESR2PDCD1CD274TDP1
SCHEMBL20808745 0.84 PTGS1 (0.41) ESR1ESR2ALDH1A1GAAKMT2A
SCHEMBL20808566 0.84 TP53 (0.45) ESR1ESR2TDP1ALDH1A1GAA
SCHEMBL20808747 0.84 ESR2 (0.42) ESR1ESR2PDCD1CD274PTGS1
SCHEMBL5958727 0.83 ESR2 (0.45) ESR1ESR2PDCD1CD274PTGS1
SCHEMBL13416433 0.82 ESR1 (0.47) ESR1ESR2PDCD1CD274TDP1
SCHEMBL2202140 0.82 ESR1 (0.47) ESR1ESR2PDCD1CD274TDP1
SCHEMBL3420339 0.82 ESR1 (0.47) ESR1ESR2PDCD1CD274TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190077901-A1 NOVOLAC-TYPE PHENOLIC HYDROXY GROUP-CONTAINING RESIN, AND RESIST FILM DIC CORPORATION (JP) 2019-03-14 US disclosed
EP-1767090-B1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO (JP) 2015-08-12 EP disclosed
US-7943803-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2011-05-17 US disclosed
US-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD (JP) 2010-10-28 US disclosed
US-7737309-B2 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation NIPPON SODA CO., LTD. (JP) 2010-06-15 US disclosed
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation NIPPON SODA CO., LTD. (JP) 2007-12-06 US disclosed
EP-1767090-A1 CLATHRATE COMPOUND, METHOD OF CONTROLLING CONCENTRATION OF AQUEOUS SOLUTION OF AGRICULTURAL-CHEMICAL ACTIVE INGREDIENT, AND AGRICULTURAL-CHEMICAL PREPARATION NIPPON SODA CO., LTD. (JP) 2007-03-28 EP disclosed
US-6147169-A LOW TEMPERATURE CURING MIXTURE OF REACTIVE BASE RESIN AND A CLATHRATE COMPRISING A TETRAKISPHENOL HOSTING A CURING AGENT OR CURING CATALYST; STORAGE STABILITY, CORROSION RESISTANCE, ADHESION KANSAI PAINT CO., LTD. (JP) 2000-11-14 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 (2 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-20100274006-A1 Clathrate compound, method for controlling concentration of aqueous agricultural chemical active ingredient solution, and agricultural chemical formulation STOM, ALB, GANC ESR1 3645/4885ESR2 4000/4885PDCD1 1605/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM ESR1 3979/4885ESR2 4159/4885PDCD1 2475/4885

“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.