SCHEMBL21483864

SCHEMBL21483864

O=C/C=C\CCCCCCI

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TRPA1 O75762 1/20 0.36
FAAH O00519 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
FASN P49327 1/20 0.32

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
SCHEMBL21483877 1.00 ALDH1A1 (0.46) ALDH1A1TSHRTRPA1FAAHTRPV1
SCHEMBL21484020 1.00 ALDH1A1 (0.46) ALDH1A1TSHRTRPA1FAAHTRPV1
SCHEMBL21483975 1.00 ALDH1A1 (0.46) ALDH1A1TSHRTRPA1FAAHTRPV1
SCHEMBL21484000 0.97
SCHEMBL21483934 0.97
SCHEMBL21483875 0.90
SCHEMBL21483892 0.90
SCHEMBL4599836 0.79 FAAH (0.54) ALDH1A1TSHRTRPA1FAAHTRPV1
SCHEMBL30542174 0.79 FAAH (0.54) ALDH1A1TSHRTRPA1FAAHTRPV1
SCHEMBL31029283 0.78 FAAH (0.38) FAAHTRPV1

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-110386855-B 1-halodiene and process for preparing it and (9E, 111Z) -9, 11-hexadecadienylacetate 信越化学工业株式会社 2023-03-28 CN disclosed
EP-3556742-B1 1-HALOALKADIENE AND PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING (9E,11Z)-9,11-HEXADECADIENYL ACETATE SHINETSU CHEMICAL CO (JP) 2021-07-14 EP disclosed
US-10737999-B2 1-haloalkadiene and a process for preparing the same and a process for preparing (9e, 11z)-9,11-hexadecadienyl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-08-11 US disclosed
US-20190322614-A1 1-HALOALKADIENE AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING (9e, 11z)-9,11-HEXADECADIENYL ACETATE SHIN-ETSU CHEMICAL CO., LTD. (JP) 2019-10-24 US disclosed
EP-3556742-A1 1-HALOALKADIENE AND PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING (9E,11Z)-9,11-HEXADECADIENYL ACETATE Shin-Etsu Chemical Co., Ltd. (JP) 2019-10-23 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-20190322614-A1 1-HALOALKADIENE AND A PROCESS FOR PREPARING THE SAME AND A PROCESS FOR PREPARING (9e, 11z)-9,11-HEXADECADIENYL ACETATE CYP8B1, HDHD5, HACL2 ALDH1A1 391/4885TSHR 2265/4885TRPA1 1446/4885
US-10737999-B2 1-haloalkadiene and a process for preparing the same and a process for preparing (9e, 11z)-9,11-hexadecadienyl acetate CYP8B1, HDHD5, HACL2 ALDH1A1 391/4885TSHR 2265/4885TRPA1 1446/4885

“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.