SCHEMBL11711810

SCHEMBL11711810

CCCCCCC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
PKM P14618 1/20 0.41
SOAT2 O75908 1/20 0.41
SOAT1 P35610 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
FAAH O00519 3/20 0.39
DNM1 Q05193 2/20 0.38
CES1 P23141 2/20 0.38
CETP P11597 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CES2 O00748 1/20 0.37
TSHR P16473 2/20 0.37

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
SCHEMBL8756382 1.00 EPHX2 (0.41) EPHX2PKMSOAT2SOAT1MEN1
SCHEMBL4934443 1.00 EPHX2 (0.41) EPHX2PKMSOAT2SOAT1MEN1
SCHEMBL8987951 0.98 MEN1 (0.41) EPHX2PKMSOAT2SOAT1MEN1
SCHEMBL4821584 0.92 MEN1 (0.42) EPHX2PKMMEN1KMT2ANPSR1
SCHEMBL31365429 0.85 ACE2 (0.40) EPHX2PKMMEN1KMT2ANPSR1
SCHEMBL8418702 0.83 EPHX2 (0.44) EPHX2SOAT2SOAT1MEN1KMT2A
SCHEMBL808497 0.83 MEN1 (0.41) PKMMEN1KMT2ANPSR1TP53
SCHEMBL9801863 0.82 TSHR (0.40) PKMNPSR1TDP1SMN1; SMN2TSHR
SCHEMBL9801905 0.82 TSHR (0.40) PKMNPSR1TDP1SMN1; SMN2TSHR
SCHEMBL8757520 0.82 TSHR (0.40) PKMNPSR1TDP1SMN1; SMN2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834220-B2 5,5-Diethoxy-(Z3)-3-Pentenyl Methoxymethyl Ether and Preparation Method Thereof SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100069664-A1 METHOD FOR PREPARING (E3,Z5)-3,5-ALKADIENYL ACETATE SHIN-ETSU CHEMICAL CO., LTD. 2010-03-18 US disclosed
US-7638647-B2 Method for preparing (E3,Z5)-3,5-alkadienyl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-29 US disclosed
US-7638647-B2 Method for preparing (E3,Z5)-3,5-alkadienyl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-29 US disclosed
US-20090143617-A1 METHOD FOR PREPARING (E3, Z5) -3,5-ALKADIENYL ACETATE SHIN-ETSU CHEMICAL CO. LTD. 2009-06-04 US disclosed
US-4065620-A ANTIBIOTICS ELI LILLY AND COMPANY (US) 1977-12-27 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 (2 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-20100069664-A1 METHOD FOR PREPARING (E3,Z5)-3,5-ALKADIENYL ACETATE APEH, DPP3, LAP3 EPHX2 818/4885PKM 2061/4885SOAT2 1464/4885
US-20090143617-A1 METHOD FOR PREPARING (E3, Z5) -3,5-ALKADIENYL ACETATE APEH, DPP3, LAP3 EPHX2 818/4885PKM 2061/4885SOAT2 1464/4885

“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.