SCHEMBL2355485

SCHEMBL2355485

Cc1cc(OCC=C(Cl)Cl)ccc1O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.48
ESR1 P03372 6/20 0.39
ESR2 Q92731 4/20 0.39
TP53 P04637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MAOB P27338 3/20 0.38
MCL1 Q07820 1/20 0.37
AR P10275 3/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
PDE10A Q9Y233 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MTNR1A P48039 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
G6PD P11413 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL2353330 0.81 HTT (0.45) HTTESR1ESR2MAOBKDM4E
SCHEMBL8067294 0.81 HTT (0.44) HTTESR1ESR2MCL1CYP1A2
SCHEMBL2351066 0.81 HTT (0.49) HTTESR1ESR2MAOBTHRA
SCHEMBL2352377 0.80 HTT (0.44) HTTESR1ESR2MAOBMCL1
SCHEMBL2351034 0.80 HTT (0.44) HTTTHRATHRB
SCHEMBL4861376 0.79 ALDH1A1 (0.49) ESR1ESR2TP53TDP1ALDH1A1
SCHEMBL2345158 0.78 HTT (0.43) HTTESR1ESR2TDP1MAOB
SCHEMBL13242999 0.77 HTT (0.58) HTTMAOBMAPTHPGD
SCHEMBL25331709 0.76 PPARD (0.53) MAOBALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL7075218 0.75 HTT (0.40) HTTTP53MCL1CYP1A2CYP2D6

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 4595/4885ESR1 1443/4885ESR2 2098/4885

“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.