SCHEMBL21483972

SCHEMBL21483972

CCCC/C=C/C=C\CCCCCCCCCCCCCl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
ALDH1A1 P00352 2/20 0.55
FASN P49327 1/20 0.48
TDP1 Q9NUW8 1/20 0.46
FAAH O00519 5/20 0.43
TRPV1 Q8NER1 1/20 0.43
F7 P08709 1/20 0.42
F3 P13726 1/20 0.42
KDM4E B2RXH2 1/20 0.41
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39

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
SCHEMBL21483961 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH
SCHEMBL21483838 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH
SCHEMBL21483950 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH
SCHEMBL21483927 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH
SCHEMBL21483960 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH
SCHEMBL21483932 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH
SCHEMBL21483881 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH
SCHEMBL21483965 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH
SCHEMBL21483951 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH
SCHEMBL21483968 1.00 TSHR (0.55) TSHRALDH1A1FASNTDP1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 TSHR 2265/4885ALDH1A1 391/4885FASN 1810/4885
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 TSHR 2265/4885ALDH1A1 391/4885FASN 1810/4885

“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.