SCHEMBL5073288

SCHEMBL5073288

C/C=C/CN(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 1/20 0.46
TK1 P04183 1/20 0.44
CNR2 P34972 1/20 0.44
AOC3 Q16853 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPK1 P28482 1/20 0.40
MAOB P27338 1/20 0.39
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 1/20 0.39
CARM1 Q86X55 1/20 0.38
PRMT6 Q96LA8 1/20 0.38
PRMT8 Q9NR22 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5073289 1.00 TSHR (0.46) TSHRALDH1A1TK1CNR2AOC3
SCHEMBL15901085 0.90 KDM4E (0.49) TSHRALDH1A1CNR2KDM4EMAPK1
SCHEMBL18255225 0.87 HRH3 (0.47) TSHRALDH1A1CNR2KCNH2
SCHEMBL8421536 0.87 TK1 (0.49) TSHRALDH1A1TK1CNR2AOC3
SCHEMBL9016986 0.87 TK1 (0.49) TSHRALDH1A1TK1CNR2AOC3
SCHEMBL17512503 0.84 ALDH1A1 (0.42) TSHRALDH1A1TK1CNR2AOC3
SCHEMBL17512504 0.84 ALDH1A1 (0.42) TSHRALDH1A1TK1CNR2AOC3
SCHEMBL10177412 0.82 ALDH1A1 (0.50) TSHRALDH1A1AOC3KDM4EMAOB
SCHEMBL5497633 0.80 ALDH1A1 (0.43) TSHRALDH1A1AOC3NPC1RAB9A
SCHEMBL1931710 0.78 MEN1 (0.54) TSHRKDM4EKCNH2CYP2C19

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 TSHR 4449/4885ALDH1A1 1665/4885TK1 1669/4885
US-20040147757-A1 Method for producing allyl compound, and ether or ester compound produced thereby AGPAT5, TST, AGPAT2 TSHR 4449/4885ALDH1A1 1665/4885TK1 1669/4885
US-20040092777-A1 Method for producing allyl compound CCNT1, APEX1, REV1 TSHR 4147/4885ALDH1A1 636/4885TK1 954/4885
US-20050075518-A1 Method for producing allyl compound, and allyl compound produced thereby CCNT1, AOC3, ATL3 TSHR 3258/4885ALDH1A1 790/4885TK1 1280/4885

“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.