SCHEMBL1701447

SCHEMBL1701447

CC(Oc1ccc(Cl)cc1)C(=O)S

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.55
CYP2C9 P11712 2/20 0.55
CYP2C19 P33261 2/20 0.55
POLB P06746 1/20 0.53
LMNA P02545 1/20 0.48
KMT2A Q03164 2/20 0.46
EPHX2 P34913 2/20 0.46
MEN1 O00255 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARG P37231 2/20 0.45
PPARA Q07869 2/20 0.45
GAA P10253 2/20 0.44
PKM P14618 1/20 0.44
TAS1R3 Q7RTX0 1/20 0.44
TAS1R1 Q7RTX1 1/20 0.44
TAS1R2 Q8TE23 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
GPR55 Q9Y2T6 1/20 0.44
MAP4K4 O95819 2/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL11440603 0.95 CYP1A2 (0.51) CYP1A2CYP2C9CYP2C19POLBLMNA
SCHEMBL117259 0.82 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL6619368 0.82 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19POLBLMNA
SCHEMBL10607544 0.82 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19POLBLMNA
SCHEMBL2399722 0.82 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL607372 0.82 CYP1A2 (0.65) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL8761273 0.82 CYP1A2 (0.57) CYP1A2CYP2C9CYP2C19POLBLMNA
Hydrochloric Acid SCHEMBL11632943 0.81 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL20591019 0.81 CYP1A2 (0.62) CYP1A2CYP2C9CYP2C19POLBEPHX2
SCHEMBL4689279 0.81 POLB (0.62) CYP1A2CYP2C9CYP2C19POLBLMNA

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 34 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
WO-2006023409-A1 SOLID POLYMERIC DISPERSANT COMPOSITION FOR WATER-INSOLUBLE ACTIVES ISP INVESTMENTS INC. (US) 2006-03-02 WO disclosed
US-20060039944-A1 Solid polymeric dispersant composition for water-insoluble actives ISP INVESTMENTS INC. 2006-02-23 US disclosed
WO-2004010781-A1 AQUEOUS SUSPENSION AGENT FOR WATER INSOLUBLE COMPOUNDS ISP INVESTMENTS, INC. (US) 2004-02-05 WO disclosed
EP-0505378-B1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC (US) 2001-01-03 EP disclosed
EP-0574492-B1 STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS ISP INVESTMENTS INC (US) 1999-05-12 EP disclosed
WO-1998006780-A1 STABILIZER ADDITIVE FOR AGCHEMICAL TANK MIX ISP INVESTMENTS INC. (US) 1998-02-19 WO disclosed
EP-0701398-A4 INERT MATRIX COMPOSITION, PREPARATION THEREOF AND MICROEMULSIFIABLE CONCENTRATE ISP INVESTMENTS INC (US) 1998-01-07 EP disclosed
US-5250499-A Delivery system for agricultural chemicals ISP INVESTMENTS INC. (US) 1993-10-05 US disclosed
EP-0505378-A4 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS 1993-03-10 EP disclosed
WO-1993000809-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1993-01-21 WO disclosed
US-5176736-A Emulsifiable herbicide concentrate ISP INVESTMENTS INC. (US) 1993-01-05 US 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-1992013454-A1 STABILIZATION OF MICROEMULSIONS USING HYDROPHOBIC ACID BUFFERS ISP INVESTMENTS INC. (US) 1992-08-20 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-1991008665-A1 DELIVERY SYSTEM FOR AGRICULTURAL CHEMICALS ISP INVESTMENTS INC. (US) 1991-06-27 WO 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 CYP1A2 2472/4885CYP2C9 2895/4885CYP2C19 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.