SCHEMBL5331564

SCHEMBL5331564

CCCCCOc1cccc(-c2ccccc2)n1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 1/20 0.50
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP19A1 P11511 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LTB4R Q15722 11/20 0.46
ATP4A P20648 2/20 0.44
ATP4B P51164 2/20 0.44
LTA4H P09960 1/20 0.44
TLR8 Q9NR97 1/20 0.43

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
SCHEMBL6001936 0.85 HTR7 (0.45) SOAT1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL8583652 0.84 SOAT1 (0.51) SOAT1LTA4HTLR8
SCHEMBL2300904 0.83 RAB9A (0.57) MEN1RAB9AKMT2A
SCHEMBL11204150 0.83 RAB9A (0.46) MEN1RAB9AKMT2ALTB4R
SCHEMBL7110386 0.81 LTB4R (0.68) LTB4R
SCHEMBL2520179 0.80 LTA4H (0.50) SOAT1MEN1KMT2ACYP1A2CYP2D6
SCHEMBL11204040 0.80 LTB4R (0.71) LTB4R
SCHEMBL24306014 0.80 SOAT1 (0.48) SOAT1LTA4HTLR8
SCHEMBL8987192 0.79 LTB4R (0.71) LTB4R
SCHEMBL8987271 0.79 LTB4R (0.71) LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1284968-B1 METHOD OF COMBATING UNDESIRED PLANT GROWTH ON CEREALS BASF AG (DE) 2007-03-14 EP disclosed
US-7008905-B2 Method of combating undesired plant growth on cereals BASF AKTIENGESELLSCHAFT (DE) 2006-03-07 US disclosed
EP-1284968-A1 METHOD OF COMBATING UNDESIRED PLANT GROWTH ON CEREALS BASF AKTIENGESELLSCHAFT (DE) 2003-02-26 EP disclosed
US-20020049141-A1 Herbicides such as 4-(3-Trifluoromethylphenoxy)-2-(4-trifluoromethyl-phenyl)-pyri midine or 4-(2-chloropyrid-4-yloxy) -2-(4-trifluoromethylphenyl)-pyrimidine BASF AKTIENGESELLSCHAFT (DE) 2002-04-25 US disclosed
WO-2001090080-A1 METHOD OF COMBATING UNDESIRED PLANT GROWTH ON CEREALS BASF AKTIENGESELLSCHAFT (DE) 2001-11-29 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-20020049141-A1 Herbicides such as 4-(3-Trifluoromethylphenoxy)-2-(4-trifluoromethyl-phenyl)-pyri midine or 4-(2-chloropyrid-4-yloxy) -2-(4-trifluoromethylphenyl)-pyrimidine CYP2W1, MTX2, MTX1 SOAT1 3478/4885MEN1 3456/4885RAB9A 2810/4885

“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.