SCHEMBL4837077

SCHEMBL4837077

O=C(O)C(Cl)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
AKR1C3 P42330 2/20 0.45
AKR1C2 P52895 2/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44
APP P05067 1/20 0.44
KMO O15229 3/20 0.43
SRD5A2 P31213 1/20 0.41

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
SCHEMBL9477739 0.84 HSD17B10 (0.43) TSHRAKR1C3AKR1C2ALDH1A1LMNA
SCHEMBL6627440 0.82 SLC6A3 (0.50) TSHRAKR1C3AKR1C2ALDH1A1LMNA
SCHEMBL2346696 0.79 LMNA (0.50) TSHRAKR1C3AKR1C2ALDH1A1LMNA
SCHEMBL2346690 0.79 LMNA (0.50) TSHRAKR1C3AKR1C2ALDH1A1LMNA
SCHEMBL11846789 0.78 PTGS2 (0.45) TSHRAKR1C3AKR1C2LMNAPSEN1
SCHEMBL7626560 0.78 LMNA (0.49) TSHRAKR1C3AKR1C2ALDH1A1LMNA
SCHEMBL14661375 0.78 VCAM1 (0.42) ALDH1A1
SCHEMBL19554951 0.78 HSD17B10 (0.56) TSHRAKR1C3AKR1C2ALDH1A1LMNA
SCHEMBL1512537 0.78 AKR1C3 (0.69) TSHRAKR1C3AKR1C2ALDH1A1LMNA
SCHEMBL9298265 0.78 TSHR (0.45) TSHRAKR1C3AKR1C2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7442549-B2 Method of constructing orchid haploid by treating unfertilized orchid flower with auxin and method of growing orchid SAPPORO BREWERIES LIMITED (JP) 2008-10-28 US claimed
US-20050289663-A1 Method of constructing orchid haploid by treating unfertilized orchid flower with auxin and method of growing orchid SAPPORO BREWERIES LIMITED (JP) 2005-12-29 US claimed
EP-1541015-A1 METHOD OF CONSTRUCTING ORCHID HAPLOID BY TREATING UNFERTILIZED OCRHID FLOWER WITH AUXIN AND METHOD OF GROWING ORCHID Sapporo Breweries Limited (JP) 2005-06-15 EP claimed
US-7442549-B2 Method of constructing orchid haploid by treating unfertilized orchid flower with auxin and method of growing orchid SAPPORO BREWERIES LIMITED (JP) 2008-10-28 US disclosed
US-7256158-B2 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2007-08-14 US disclosed
US-20050289663-A1 Method of constructing orchid haploid by treating unfertilized orchid flower with auxin and method of growing orchid SAPPORO BREWERIES LIMITED (JP) 2005-12-29 US disclosed
US-6933261-B2 2,4,5-Trisubstituted phenylketoenols BAYER AKTIENGESELLSCHAFT (DE) 2005-08-23 US disclosed
EP-1541015-A1 METHOD OF CONSTRUCTING ORCHID HAPLOID BY TREATING UNFERTILIZED OCRHID FLOWER WITH AUXIN AND METHOD OF GROWING ORCHID Sapporo Breweries Limited (JP) 2005-06-15 EP disclosed
US-20050038021-A1 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides BAYER AG (DE) 2005-02-17 US disclosed
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides LIEB FOLKER (DE) 2003-09-11 US disclosed
US-6511942-B1 Animal husbandry, veterinary medicine BAYER AKTIENGESELLSCHAFT (DE) 2003-01-28 US disclosed
US-6110872-A 3-(2,4,5-TRISUBSTITUTED PHENYL), 4-HYDROXY,5,5-(CYCLOALKYL OR HETEROCYCLOALKYL)PYRROLIN-2-ONE AND DERIVATIVES; METHOD OF MAKING BY INTRAMOLECULAR CONDENSATION OF SPECIFIED COMPOUND BAYER AKTIENGESELLSCHAFT (DE) 2000-08-29 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 (2 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-20050038021-A1 2,4,5,-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, PDHX TSHR 2316/4885AKR1C3 40/4885AKR1C2 34/4885
US-20030171219-A1 2,4,5-trisubstituted phenylketo-enols for use as pesticides and herbicides DDT, CYP4X1, HPD TSHR 2872/4885AKR1C3 41/4885AKR1C2 34/4885

“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.