SCHEMBL10186403

SCHEMBL10186403

CCCCOC(=O)c1ccc(O[C@@H](C)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.56
TSHR P16473 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
ESR1 P03372 1/20 0.56
CYP2D6 P10635 1/20 0.56
MAPK1 P28482 1/20 0.56
NR1H2 P55055 1/20 0.56
RNASEL Q05823 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
PDE4D Q08499 1/20 0.55
LTB4R Q15722 6/20 0.54
LTB4R2 Q9NPC1 6/20 0.54
STS P08842 5/20 0.52
FFAR1 O14842 1/20 0.52
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HPGD P15428 1/20 0.50

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
SCHEMBL10186125 1.00 LMNA (0.56) LMNATSHRCYP1A2CYP2C19ESR1
Isopropylbenzene SCHEMBL28857702 0.83 LMNA (0.63) LMNATSHRCYP1A2CYP2C19ESR1
SCHEMBL10148420 0.82 KMT2A (0.59) LMNASMN1; SMN2LTB4RLTB4R2FFAR1
SCHEMBL10148422 0.82 KMT2A (0.59) LMNASMN1; SMN2LTB4RLTB4R2FFAR1
SCHEMBL28978386 0.81 LMNA (0.79) LMNATSHRCYP1A2CYP2C19ESR1
SCHEMBL97514 0.81 LMNA (0.79) LMNATSHRCYP1A2CYP2C19ESR1
SCHEMBL1869078 0.81 LMNA (0.79) LMNATSHRCYP1A2CYP2C19ESR1
Butylparaben SCHEMBL5189352 0.81 TSHR (0.68) LMNATSHRCYP1A2CYP2C19ESR1
Hydrogen Peroxide SCHEMBL28645617 0.81 ESR1 (0.82) LMNATSHRCYP1A2CYP2C19ESR1
SCHEMBL29523345 0.80 LTB4R (0.57) TSHRSMN1; SMN2LTB4RLTB4R2FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND ASTELLAS PHARMA INC. (JP) 2012-02-23 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-20120046292-A1 DIACYLETHYLENEDIAMINE COMPOUND DGAT1, DGAT2, DIMT1 LMNA 2889/4885TSHR 4189/4885CYP1A2 1822/4885

“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.