SCHEMBL1758774

SCHEMBL1758774

Oc1cc(C(c2ccc(C(c3ccc(Cl)c(O)c3)c3ccc(Cl)c(O)c3)cc2)c2ccc(Cl)c(O)c2)ccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 5/20 0.52
▸ TSHR P16473 3/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ HPGD P15428 1/20 0.40
▸ MAPK1 P28482 1/20 0.37
▸ CYP19A1 P11511 2/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ CACNA1C Q13936 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL1596153 0.81 HSD17B10 (0.52) HSD17B10TSHRALDH1A1CYP3A4TDP1
SCHEMBL1493888 0.79 PTGS1 (0.59) HSD17B10TSHRALDH1A1CYP3A4TDP1
SCHEMBL4458922 0.78 HSD17B10 (0.54) HSD17B10TSHRALDH1A1CYP3A4TDP1
SCHEMBL29465800 0.78 HSD17B10 (0.54) HSD17B10TSHRALDH1A1CYP3A4TDP1
SCHEMBL9358326 0.77 HSD17B10 (0.56) HSD17B10ALDH1A1CYP1A2CYP2C9ALOX15
SCHEMBL13727692 0.76 ADRB2 (0.50) HSD17B10TSHRALDH1A1CYP3A4TDP1
SCHEMBL1758423 0.76 ESR2 (0.48) HSD17B10TSHRCYP1A2CYP2C9ALOX15
SCHEMBL31516962 0.74 TDP1 (0.54) HSD17B10TSHRALDH1A1CYP3A4TDP1
SCHEMBL109026 0.74 TDP1 (0.54) HSD17B10TSHRALDH1A1CYP3A4TDP1
SCHEMBL1595200 0.73 HSD17B10 (0.61) HSD17B10TSHRALDH1A1CYP3A4HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 HSD17B10 3862/4885TSHR 4669/4885ALDH1A1 4804/4885
US-20070281929-A1 Clathrate Compound, Method for Controlling Concentration of Aqueous Agricultural Chemical Active Ingredient Solution, and Agricultural Chemical Formulation CA3, CA2, STOM HSD17B10 2683/4885TSHR 3930/4885ALDH1A1 4757/4885

“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.

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