SCHEMBL5318129

SCHEMBL5318129

CCCCC=CCCCCCCCCC[C@@H](C)OC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.50
F7 P08709 1/20 0.47
F3 P13726 1/20 0.47
TRPV1 Q8NER1 1/20 0.46
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
PRKCA P17252 1/20 0.45

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
SCHEMBL29060641 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1
SCHEMBL5318127 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1
SCHEMBL221368 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1
SCHEMBL221366 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1
SCHEMBL221367 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1
SCHEMBL5316240 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1
SCHEMBL1302160 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1
SCHEMBL1302158 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1
SCHEMBL5317467 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1
SCHEMBL5316244 1.00 FAAH (0.50) FAAHF7F3TRPV1CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007079563-A1 COMPOSITION OF CHEMICALS FOR MANIPULATING THE BEHAVIOUR OF THE PISTACHIO TWIG BORER, KERMANIA PISTACIELLA (LEPIDOPTERA: OINOPHILIDAE) GRIES REGINE (CA) 2007-07-19 WO claimed
US-10815504-B2 Method for producing (Z)-2-benzoyloxy-12-heptadecene and (2S,12Z)-2-hydroxy-12-heptadecene and method for producing (2S,12Z)-2-acetoxy-12-heptadecene SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-10-27 US disclosed
CN-105420285-B Preparation method of heptadecene compound 信越化学工业株式会社 2020-10-16 CN disclosed
US-20180355386-A1 METHOD FOR PRODUCING (Z)-2-BENZOYLOXY-12-HEPTADECENE AND (2S,12Z)-2-HYDROXY-12-HEPTADECENE AND METHOD FOR PRODUCING (2S,12Z)-2-ACETOXY-12-HEPTADECENE SHINETSU CHEMICAL CO (JP) 2018-12-13 US disclosed
US-10081820-B2 Method for producing (Z)-2-benzoyloxy-12-heptadecene and (2S,12Z)-2-hydroxy-12-heptadecene and method for producing (2S,12Z)-2-acetoxy-12-heptadecene SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-09-25 US disclosed
EP-2998286-B1 METHOD FOR PRODUCING (Z)-2-BENZOYLOXY-12-HEPTADECENE AND (2S,12Z)-2- HYDROXY-12-HEPTADECENE AND METHOD FOR PRODUCING (2S,12Z)-2-ACETOXY-12- HEPTADECENE SHINETSU CHEMICAL CO (JP) 2017-05-31 EP disclosed
EP-2998286-A1 METHOD FOR PRODUCING (Z)-2-BENZOYLOXY-12-HEPTADECENE AND (2S,12Z)-2- HYDROXY-12-HEPTADECENE AND METHOD FOR PRODUCING (2S,12Z)-2-ACETOXY-12- HEPTADECENE Shin-Etsu Chemical Co., Ltd. (JP) 2016-03-23 EP disclosed
US-20160076063-A1 Method for Producing (Z)-2-Benzoyloxy-12-Heptadecene and (2S,12Z)-2-Hydroxy-12-Heptadecene and Method for Producing (2S,12Z)-2-Acetoxy-12-Heptadecene SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-03-17 US disclosed
WO-2007079563-A1 COMPOSITION OF CHEMICALS FOR MANIPULATING THE BEHAVIOUR OF THE PISTACHIO TWIG BORER, KERMANIA PISTACIELLA (LEPIDOPTERA: OINOPHILIDAE) GRIES REGINE (CA) 2007-07-19 WO 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-10815504-B2 Method for producing (Z)-2-benzoyloxy-12-heptadecene and (2S,12Z)-2-hydroxy-12-heptadecene and method for producing (2S,12Z)-2-acetoxy-12-heptadecene CYP51A1, LIPE, CYP8B1 FAAH 54/4885F7 771/4885F3 2230/4885
US-20180355386-A1 METHOD FOR PRODUCING (Z)-2-BENZOYLOXY-12-HEPTADECENE AND (2S,12Z)-2-HYDROXY-12-HEPTADECENE AND METHOD FOR PRODUCING (2S,12Z)-2-ACETOXY-12-HEPTADECENE CYP51A1, LIPE, CYP8B1 FAAH 54/4885F7 771/4885F3 2230/4885
US-20160076063-A1 Method for Producing (Z)-2-Benzoyloxy-12-Heptadecene and (2S,12Z)-2-Hydroxy-12-Heptadecene and Method for Producing (2S,12Z)-2-Acetoxy-12-Heptadecene CYP51A1, LIPE, CYP8B1 FAAH 54/4885F7 771/4885F3 2230/4885
US-10081820-B2 Method for producing (Z)-2-benzoyloxy-12-heptadecene and (2S,12Z)-2-hydroxy-12-heptadecene and method for producing (2S,12Z)-2-acetoxy-12-heptadecene CYP51A1, LIPE, CYP8B1 FAAH 54/4885F7 771/4885F3 2230/4885

“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.