SCHEMBL5073292

SCHEMBL5073292

CC=CCc1cc(F)ccc1Oc1ccc(F)cc1CC=CC

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 15/20 0.47
SLC6A2 P23975 6/20 0.47
SLC6A3 Q01959 6/20 0.47
HTR2A P28223 8/20 0.43
KCNH2 Q12809 6/20 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
SCHEMBL29123704 0.77 HRH1 (0.44) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL10383999 0.74 CA3 (0.43) SLC6A4HTR2A
SCHEMBL10383998 0.74 CA3 (0.43) SLC6A4HTR2A
SCHEMBL2838303 0.71 KEAP1 (0.46)
SCHEMBL4436450 0.71 SLC6A4 (0.45) SLC6A4SLC6A2SLC6A3HTR2AKCNH2
SCHEMBL25549445 0.70 IDO1 (0.37) SLC6A4SLC6A2SLC6A3HTR2A
SCHEMBL10338205 0.69 ALOX5AP (0.31)
SCHEMBL2689127 0.69 ALDH1A1 (0.52) SLC6A4SLC6A2SLC6A3
SCHEMBL21358033 0.69 GABRA1 (0.56) SLC6A4SLC6A2SLC6A3
SCHEMBL30536248 0.69 ALDH1A1 (0.52) SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423168-B2 Reacting allyl starting compound with oxygen nucleophilic agent in presence of transition metal catalyst and monodentate phosphite MITSUBISHI CHEMICAL CORPORATION (JP) 2008-09-09 US disclosed
US-7241857-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2007-07-10 US disclosed
US-7173157-B2 Method for producing an allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2007-02-06 US disclosed
US-7119222-B2 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-10-10 US disclosed
US-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2006-05-18 US disclosed
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2005-04-07 US disclosed
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby MITSUBISHI CHEMICAL CORPORATION (JP) 2004-07-29 US disclosed
US-20040092777-A1 Method for producing allyl compound MITSUBISHI CHEMICAL CORPORATION (JP) 2004-05-13 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 (4 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-20060106181-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 SLC6A4 4138/4885SLC6A2 4522/4885SLC6A3 4204/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 SLC6A4 4138/4885SLC6A2 4522/4885SLC6A3 4204/4885
US-20040092777-A1 Method for producing allyl compound CCNT1, APEX1, REV1 SLC6A4 4659/4885SLC6A2 4714/4885SLC6A3 4185/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 SLC6A4 4217/4885SLC6A2 4344/4885SLC6A3 2809/4885

“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.