SCHEMBL4056261

SCHEMBL4056261

CC(O)COc1c(Cl)cc(O)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TSHR P16473 2/20 0.40
CYP3A4 P08684 2/20 0.38
HSD17B10 Q99714 2/20 0.38
HPGD P15428 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
SCN4A P35499 2/20 0.35
CYP2C19 P33261 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
ALOX15 P16050 2/20 0.32
ALOX12 P18054 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PLAU P00749 1/20 0.32
CHRM1 P11229 1/20 0.31
MAOA P21397 1/20 0.31

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
SCHEMBL11116978 0.80 ALDH1A1 (0.44) LMNATSHRSCN4ACYP2C19CYP1A2
SCHEMBL8408220 0.80 HSD17B10 (0.41) TSHRCYP3A4HSD17B10HPGDCRHBP
SCHEMBL11336983 0.77 SCN4A (0.54) LMNATSHRHSD17B10HPGDSCN4A
SCHEMBL8408406 0.75 LMNA (0.47) LMNACYP3A4HSD17B10HPGDCRHBP
SCHEMBL8408182 0.75 SIGMAR1 (0.44) TSHRSCN4ACYP1A2TDP1L3MBTL1
SCHEMBL11516388 0.74 LMNA (0.45) LMNATSHRCYP3A4HSD17B10SCN4A
SCHEMBL8408701 0.72 CYP3A4 (0.41) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL7628151 0.72 SCN4A (0.33) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL11239759 0.71 HPGD (0.44) CYP3A4HSD17B10HPGDCRHBPCRHR2
SCHEMBL8407186 0.71 HSD17B10 (0.44) TSHRCYP3A4HSD17B10HPGDCRHBP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620093-B1 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2009-06-24 EP disclosed
EP-1620093-A4 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES BAYER CROPSCIENCE AG (DE) 2007-10-31 EP disclosed
US-7208450-B2 Pesticidal (dihalopropenyl) phenylalkyl substituted benzoxazole and benzothiazole derivatives BAYER CROPSCIENCE AG (DE) 2007-04-24 US disclosed
EP-1620093-A2 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES FMC CORPORATION (US) 2006-02-01 EP disclosed
US-20050171356-A1 Pesticidal (dihalopropenyl) phenylalkyl substituted benzoxazole and benzothiazole derivatives FMC CORPORATION 2005-08-04 US disclosed
WO-2004099105-A2 PESTICIDAL (DIHALOPROPENYL) PHENYLALKYL SUBSTITUTED BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES FMC CORPORATION (US) 2004-11-18 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-20050171356-A1 Pesticidal (dihalopropenyl) phenylalkyl substituted benzoxazole and benzothiazole derivatives DDT, PDHX, CYP4X1 LMNA 1944/4885TSHR 1273/4885CYP3A4 591/4885

“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.