SCHEMBL1758130

SCHEMBL1758130

Oc1cccc(C(c2ccc(C(c3cccc(O)c3)c3cccc(O)c3)cc2)c2cccc(O)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.52
CA12 O43570 2/20 0.52
ALDH1A1 P00352 2/20 0.52
CA2 P00918 2/20 0.52
CYP3A4 P08684 2/20 0.52
CA9 Q16790 2/20 0.52
CA14 Q9ULX7 2/20 0.52
CA5A P35218 1/20 0.52
HSD17B10 Q99714 1/20 0.52
CA5B Q9Y2D0 1/20 0.52
ESR1 P03372 1/20 0.52
ESR2 Q92731 1/20 0.52
ADRB1 P08588 2/20 0.50
ADRA1A P35348 2/20 0.50
MIF P14174 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2B P41595 1/20 0.50
HIF1A Q16665 4/20 0.47
TSHR P16473 2/20 0.47
ADRB2 P07550 1/20 0.47

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
SCHEMBL4059643 0.95 ESR1 (0.58) LMNACA12ALDH1A1CA2CYP3A4
SCHEMBL29807688 0.95 ESR1 (0.58) LMNACA12ALDH1A1CA2CYP3A4
SCHEMBL9616897 0.95 LMNA (0.58) LMNACA12ALDH1A1CA2CYP3A4
SCHEMBL5417572 0.93 LMNA (0.50) LMNACA12ALDH1A1CA2CYP3A4
SCHEMBL21380577 0.93 LMNA (0.50) LMNACA12ALDH1A1CA2CYP3A4
SCHEMBL25506826 0.89 ALDH1A1 (0.50) LMNACA12ALDH1A1CA2CYP3A4
SCHEMBL1758100 0.85 ESR1 (0.47) LMNACA12ALDH1A1CA2CYP3A4
SCHEMBL27925316 0.82 CA12 (0.64) LMNACA12ALDH1A1CA2CYP3A4
SCHEMBL2408575 0.82 HSD17B1 (0.53) LMNAALDH1A1CYP3A4ESR1ESR2
SCHEMBL28356672 0.82 ALDH1A1 (0.57) LMNACA12ALDH1A1CA2CYP3A4

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 LMNA 3617/4885CA12 86/4885ALDH1A1 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 LMNA 3707/4885CA12 151/4885ALDH1A1 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.