SCHEMBL20536247

SCHEMBL20536247

CCCCC/C=C\C/C=C\CCCCCC(OCCC)OCCC

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.53
CNR1 P21554 1/20 0.53
CNR2 P34972 1/20 0.53
TRPV1 Q8NER1 1/20 0.46

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
SCHEMBL34463874 0.95 FAAH (0.45) ALDH1A1CNR1CNR2TRPV1
SCHEMBL15026906 0.92 ALDH1A1 (0.59) ALDH1A1CNR1CNR2
SCHEMBL15026873 0.92 ALDH1A1 (0.59) ALDH1A1CNR1CNR2
SCHEMBL28851063 0.89 LPAR2 (0.42) ALDH1A1CNR1CNR2TRPV1
SCHEMBL15026905 0.89 ALDH1A1 (0.56) ALDH1A1CNR1CNR2
SCHEMBL20536669 0.88 ALDH1A1 (0.50) ALDH1A1CNR1CNR2TRPV1
SCHEMBL20912483 0.88 ALDH1A1 (0.50) ALDH1A1CNR1CNR2TRPV1
SCHEMBL20912484 0.88 ALDH1A1 (0.50) ALDH1A1CNR1CNR2TRPV1
SCHEMBL34463880 0.87 ALDH1A1 (0.53) ALDH1A1CNR1CNR2TRPV1
SCHEMBL34463872 0.87 ALDH1A1 (0.49) ALDH1A1CNR1CNR2TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108727170-B 1-halo-6, 9-pentadecadienes and process for preparing (7Z,10Z) -7, 10-hexadecadienals 信越化学工业株式会社 2021-10-26 CN disclosed
EP-3392231-B1 1-HALO-6,9-PENTADECADIENE AND METHOD FOR PRODUCING (7Z,10Z)-7,10-HEXADECADIENAL SHINETSU CHEMICAL CO (JP) 2019-04-24 EP disclosed
US-10138191-B2 1-halo-6,9-pentadecadiene and method for producing (7Z,10Z)-7,10-hexadecadienal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-11-27 US disclosed
US-20180305284-A1 1-HALO-6,9-PENTADECADIENE AND METHOD FOR PRODUCING (7Z,10Z)-7,10-HEXADECADIENAL SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-10-25 US disclosed
EP-3392231-A1 1-HALO-6,9-PENTADECADIENE AND METHOD FOR PRODUCING (7Z,10Z)-7,10-HEXADECADIENAL Shin-Etsu Chemical Co., Ltd. (JP) 2018-10-24 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 (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-20180305284-A1 1-HALO-6,9-PENTADECADIENE AND METHOD FOR PRODUCING (7Z,10Z)-7,10-HEXADECADIENAL HDHD5, OSR1, CYP8B1 ALDH1A1 1017/4885CNR1 3038/4885CNR2 3914/4885
US-10138191-B2 1-halo-6,9-pentadecadiene and method for producing (7Z,10Z)-7,10-hexadecadienal HDHD5, OSR1, CYP8B1 ALDH1A1 1017/4885CNR1 3038/4885CNR2 3914/4885

“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.