SCHEMBL1701239

SCHEMBL1701239

O=C(O)Cc1c(Cl)ccc(Cl)c1Cl.O=C(O)Cc1c(Cl)ccc(Cl)c1Cl

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.65
CA2 P00918 2/20 0.42
CASP1 P29466 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
TSHR P16473 1/20 0.39
CXCL8 P10145 4/20 0.38
CLIC1 O00299 1/20 0.37
CLCN2 P51788 1/20 0.37
CAMK2A Q9UQM7 1/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP2C9 P11712 2/20 0.37
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HTR1A P08908 1/20 0.36

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
SCHEMBL55504 1.00 AKR1B1 (0.65) AKR1B1CA2CASP1FFAR4TSHR
SCHEMBL29397431 1.00 AKR1B1 (0.65) AKR1B1CA2CASP1FFAR4TSHR
Ammonia Solution, Strong SCHEMBL25360718 0.98 AKR1B1 (0.63) AKR1B1CA2CASP1FFAR4TSHR
Ammonia Solution, Strong SCHEMBL2688772 0.98 AKR1B1 (0.63) AKR1B1CA2CASP1FFAR4TSHR
SCHEMBL3234019 0.98 AKR1B1 (0.63) AKR1B1CA2CASP1FFAR4TSHR
Hydrochloric Acid SCHEMBL29008321 0.98 AKR1B1 (0.63) AKR1B1CA2CASP1FFAR4TSHR
Dimethylamine SCHEMBL31349920 0.92 AKR1B1 (0.57) AKR1B1CA2CASP1FFAR4TSHR
Phenylacetic Acid SCHEMBL7131158 0.89 AKR1B1 (0.61) AKR1B1CA2CASP1TSHRCAMK2A
SCHEMBL29051963 0.87 AKR1B1 (0.61) AKR1B1CA2TSHRCLCN2CAMK2A
SCHEMBL18301686 0.84 AKR1B1 (0.57) AKR1B1CA2CASP1CXCL8CLIC1

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210630-A1 SELF-EMULSIFYING OIL ISP INVESTMENTS INC. (DE) 2013-08-15 US disclosed
WO-2012003441-A1 SELF-EMULSIFYING OIL ISP INVESTMENTS INC. (US) 2012-01-05 WO disclosed
US-7019046-B2 Aqueous suspension agent for water insoluble compounds ISP INVESTMENTS INC. (US) 2006-03-28 US disclosed
US-20060039944-A1 Solid polymeric dispersant composition for water-insoluble actives ISP INVESTMENTS INC. 2006-02-23 US disclosed
US-20040024099-A1 Aqueous suspension agent for water insoluble compounds ISP INVESTMENTS INC. 2004-02-05 US disclosed
WO-2004010781-A1 AQUEOUS SUSPENSION AGENT FOR WATER INSOLUBLE COMPOUNDS ISP INVESTMENTS, INC. (US) 2004-02-05 WO disclosed
EP-0668757-B1 COMPOSITIONS OF INSOLUBLE FILM-FORMING POLYMERS AND USES THEREFOR ISP INVESTMENTS INC (US) 2003-12-10 EP disclosed
US-6303131-B1 CAN BE USED AS A COATING FOR SUBSTRATES, SUCH AS, WOOD, METAL, GLASS, ALSO ACTIVE INGREDIENT, E.G., FUNGICIDES, PRESERVATIVES, INSECTICIDES, INSECT REPELLENTS, PHEROMONES, RADIATION ABSORBENTS, DYES, CAN BE INCLUDED IN FORMULATION ISP INVESTMENTS INC. 2001-10-16 US disclosed
EP-0574492-B1 STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS ISP INVESTMENTS INC (US) 1999-05-12 EP disclosed
EP-0574418-B1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST SCHERING AGREVO GMBH (DE) 1998-11-11 EP disclosed
US-5160528-A Stable emulsifiable herbicide concentrates ISP INVESTMENTS INC. (US) 1992-11-03 US disclosed
US-5156666-A Emulsifiable concentrate comprising a pesticide, a surfactant, a hydrophobic solvent and a hydrophilic solvent; storage stability ISP INVESTMENTS INC. (US) 1992-10-20 US disclosed
EP-0505378-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1992-09-30 EP disclosed
WO-1992013845-A1 ARYL SULPHONYL UREA COMPOUNDS, A METHOD OF PREPARING THEM, AND THEIR USE AS HERBICIDES AND GROWTH REGULATORS HOECHST AKTIENGESELLSCHAFT (DE) 1992-08-20 WO disclosed
WO-1992010501-A1 HERBICIDAL ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-25 WO disclosed
WO-1992009587-A1 HERBICIDAL OXAZINE ETHERS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-06-11 WO disclosed
WO-1992004827-A1 HERBICIDAL SUBSTITUTED BICYCLIC TRIAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-04-02 WO disclosed
US-5071463-A Stable, emulsifiable concentrate of an herbicide and pyrrolido ne derivative; dispersibility ISP INVESTMENTS INC. (US) 1991-12-10 US disclosed
WO-1990012012-A1 SUBSTITUTED PHENYLTRIAZOLOPYRIMIDINE HERBICIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-10-18 WO disclosed
US-4401456-A DROPPING AQUEOUS SOLUTION OF ALGINATE AND PESTICIDE INTO AQUEOUS CALCIUM-, BARIUM-, OR COPPER-CHLORIDE SOLUTION THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1983-08-30 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 (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-20130210630-A1 SELF-EMULSIFYING OIL PHOSPHO1, SQLE, ALOX15 AKR1B1 2545/4885CA2 4599/4885CASP1 1403/4885

“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.