SCHEMBL2353330

SCHEMBL2353330

Oc1ccc(OCC=C(Cl)Cl)cc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.45
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAOB P27338 4/20 0.38
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
HPGD P15428 2/20 0.36
DAO P14920 1/20 0.35
ESR2 Q92731 2/20 0.35
ESR1 P03372 1/20 0.35
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MTNR1A P48039 1/20 0.33

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
SCHEMBL15380292 0.86 HTT (0.47) HTTDAOMEN1LMNAKMT2A
SCHEMBL2352377 0.81 HTT (0.44) HTTMAOBHPGDESR2ESR1
SCHEMBL2355485 0.81 HTT (0.48) HTTHSD17B10MAOBHPGDESR2
SCHEMBL20382459 0.81 HPGD (0.52) TSHRHSD17B10MAOBCA2CA1
SCHEMBL3720753 0.81 TSHR (0.41) TSHRHSD17B10MAOBCA2CA1
SCHEMBL2166615 0.80 HTT (0.41) HTTTSHRHSD17B10HPGDESR2
SCHEMBL2351066 0.79 HTT (0.49) HTTTSHRHSD17B10MAOBHPGD
SCHEMBL27434049 0.78 TSHR (0.47) TSHRHSD17B10MAOBCA2CA1
SCHEMBL27434061 0.78 TSHR (0.47) TSHRHSD17B10MAOBCA2CA1
SCHEMBL2351034 0.78 HTT (0.44) HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2039671-B1 PROCESS FOR PRODUCTION OF ALCOHOL COMPOUND SUMITOMO CHEMICAL CO (JP) 2011-08-31 EP disclosed
US-7652177-B2 reacting 2,6-dichloro-4-(3,3-dichloro-2-propenyloxy)phenol with 3-bromo-1-propanol in a water insoluble solvent such as hexane, toluene, diethyl ether and a phase transfer catalyst ( tetrabutylammonium chloride) to produce 3-(2,6-dichloro-4-(3,3-dichloro-2-propenyloxy)phenoxy)-1-propyl alcohol SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-01-26 US disclosed
US-20090192336-A1 PROCESS FOR PRODUCTION OF ALCOHOL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-07-30 US disclosed
EP-2039671-A1 PROCESS FOR PRODUCTION OF ALCOHOL COMPOUND Sumitomo Chemical Company, Limited (JP) 2009-03-25 EP 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-20090192336-A1 PROCESS FOR PRODUCTION OF ALCOHOL COMPOUND XDH, ADH1A, ADH5 HTT 4595/4885TSHR 1645/4885HSD17B10 503/4885

“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.