SCHEMBL2345158

SCHEMBL2345158

CCCc1cc(OCC=C(Cl)Cl)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.43
ALOX5 P09917 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
PKM P14618 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
HMGCR P04035 2/20 0.38
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TSHR P16473 1/20 0.35
MAOB P27338 3/20 0.34
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 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
SCHEMBL2351066 0.88 HTT (0.49) HTTKDM4EALDH1A1HPGDPKM
SCHEMBL2355485 0.78 HTT (0.48) HTTKDM4EALDH1A1HPGDPKM
SCHEMBL2353330 0.76 HTT (0.45) HTTKDM4EALDH1A1HPGDKMT2A
SCHEMBL16648400 0.76 ALOX5 (0.49) ALOX5HMGCRMTNR1AMTNR1BESR1
SCHEMBL2352377 0.75 HTT (0.44) HTTKDM4EALDH1A1HPGDKMT2A
SCHEMBL2351034 0.75 HTT (0.44) HTT
SCHEMBL10366349 0.74 MTNR1A (0.56) ALOX5KDM4EALDH1A1KMT2ATDP1
SCHEMBL8408126 0.73 HTT (0.45) HTTKDM4EALDH1A1HPGDPKM
SCHEMBL8632261 0.73 PPARG (0.43) HTTMAPT
SCHEMBL6791017 0.73 CYP2C9 (0.44) HTTALOX5KDM4EALDH1A1KMT2A

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 4595/4885ALOX5 3993/4885KDM4E 2014/4885

“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.