SCHEMBL401409

SCHEMBL401409

CCSC(CC(=O)O)(SCC)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 1/20 0.40
HMGCR P04035 1/20 0.40
CHRM1 P11229 1/20 0.40
TBXA2R P21731 1/20 0.40
ADRA1A P35348 1/20 0.40
FFAR3 O14843 2/20 0.36
CPT2 P23786 2/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR1 O14842 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACLY P53396 3/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HSPD1 P10809 1/20 0.32

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
SCHEMBL6854047 0.82 ALDH1A1 (0.32) TSHRALDH1A1FFAR3
SCHEMBL28223060 0.78 BLM (0.48) TSHRALDH1A1FFAR1TDP1HSPD1
SCHEMBL9273470 0.77 CYP2C19 (0.46) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL27883680 0.76 BLM (0.47) TSHRALDH1A1FFAR1TDP1HSPD1
SCHEMBL27900985 0.76 BLM (0.47) TSHRALDH1A1FFAR1TDP1HSPD1
SCHEMBL8428402 0.72 ALDH1A1 (0.42) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL8837557 0.69
SCHEMBL10924273 0.69 TSHR (0.38) TSHRCYP2D6CYP2C19HIF1AALDH1A1
SCHEMBL1141777 0.69 ALDH1A1 (0.38) TSHRCYP2D6CYP2C19HIF1AALDH1A1
Propionic Acid SCHEMBL8734813 0.68 FFAR3 (0.48) TSHRCYP2D6CYP2C19HIF1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1722633-B1 Use of a insecticidal composition againt mosquitoes, namely for impregnation of mosquito nets INST RECH POUR LE DÉVELOPPEMENT IRD (FR) 2014-06-18 EP claimed
EP-1697578-B1 COMPOSITION FOR THE IMPREGNATION OF FIBERS, FABRICS AND NETTINGS IMPARTING A PROTECTIVE ACTIVITY AGAINST PESTS BASF SE (DE) 2011-08-31 EP claimed
EP-1411764-B1 A FENCING DISEASE CONTROL TEXTILES APS (DK) 2004-12-29 EP claimed
US-8663722-B2 Removal of pesticide residues in food by ionizing radiation KING ABDDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2014-03-04 US disclosed
US-20130210630-A1 SELF-EMULSIFYING OIL ISP INVESTMENTS INC. (DE) 2013-08-15 US disclosed
US-8476482-B2 Removal of pesticide residues in food by ionizing radiation KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2013-07-02 US disclosed
US-20130129877-A1 REMOVAL OF PESTICIDE RESIDUES IN FOOD BY IONIZING RADIATION KING ABDULAZIZ CITY FOR SCIENCE AND TECHNOLOGY (SA) 2013-05-23 US disclosed
US-20120021103-A1 REMOVAL OF PESTICIDE RESIDUES IN FOOD BY IONIZING RADIATION KING ABDULAZIZ CITY SCIENCE AND TECHNOLOGY (SA) 2012-01-26 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
WO-2006023409-A1 SOLID POLYMERIC DISPERSANT COMPOSITION FOR WATER-INSOLUBLE ACTIVES ISP INVESTMENTS INC. (US) 2006-03-02 WO disclosed
EP-0289909-B1 ALL AQUEOUS FORMULATIONS OF ORGANO-PHOSPHOROUS PESTICIDES BASF Corporation (US) 1992-09-16 EP 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-1991008665-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1991-06-27 WO disclosed
US-4851217-A All aqueous formulations of organo-phosphorous pesticides BASF CORPORATION (US) 1989-07-25 US disclosed
US-4366103-A TRIALKYL PHOSPHOROTRITHIOITES, ALIPHATIC OR CYCLOALIPHATIC KETONES RHONE-POULENC AGROCHIMIE (FR) 1982-12-28 US disclosed
US-4340608-A Insecticidal pyrethroid compositions AMERICAN CYANAMID COMPANY (US) 1982-07-20 US disclosed
US-4340608-A Insecticidal pyrethroid compositions AMERICAN CYANAMID COMPANY (US) 1982-07-20 US disclosed
US-4087523-A 2,2-DIMETHYL-4,5-BENZOSPIRO(2,4)HEPTA-4,6-DIENE-1-CARBOXYLIC ACID, ALPHA-CYANO-M-PHENOXYBENZYL ESTER; N'-(4-CHLORO-O-TOLYL)-N,N-DIMETHYLFORMAMIDINE AMERICAN CYANAMID COMPANY (US) 1978-05-02 US disclosed
US-4087523-A 2,2-DIMETHYL-4,5-BENZOSPIRO(2,4)HEPTA-4,6-DIENE-1-CARBOXYLIC ACID, ALPHA-CYANO-M-PHENOXYBENZYL ESTER; N'-(4-CHLORO-O-TOLYL)-N,N-DIMETHYLFORMAMIDINE AMERICAN CYANAMID COMPANY (US) 1978-05-02 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 TSHR 4755/4885CYP2D6 3903/4885CYP2C19 2837/4885

“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.