SCHEMBL23852447

SCHEMBL23852447

CCCCC/C(OCCCC)=C(\OCCCC)OCOCCCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
DGKA P23743 1/20 0.36
ALDH1A1 P00352 1/20 0.35
CA12 O43570 3/20 0.33
CA1 P00915 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
ATM Q13315 1/20 0.33
MEN1 O00255 1/20 0.33
THRB P10828 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
MAPT P10636 1/20 0.33
CES1 P23141 2/20 0.33
NAAA Q02083 1/20 0.32
CES2 O00748 2/20 0.32
HPGD P15428 1/20 0.32
DNM1 Q05193 1/20 0.31
EPHX1 P07099 1/20 0.31
PRSS1 P07477 1/20 0.30

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
SCHEMBL23852450 1.00 TSHR (0.36) TSHRDGKAALDH1A1CA12CA1
SCHEMBL23852395 0.98 CA12 (0.36) TSHRDGKAALDH1A1CA12CA1
SCHEMBL23851930 0.98 CA12 (0.36) TSHRDGKAALDH1A1CA12CA1
SCHEMBL23851928 0.98 CA12 (0.36) TSHRDGKAALDH1A1CA12CA1
SCHEMBL23851776 0.97 HTT (0.39) TSHRDGKACA12CA1CA2
SCHEMBL23853543 0.97 HTT (0.39) TSHRDGKACA12CA1CA2
SCHEMBL23852615 0.97 HTT (0.39) TSHRDGKACA12CA1CA2
SCHEMBL23855318 0.97 HTT (0.39) TSHRDGKACA12CA1CA2
SCHEMBL23851774 0.97 HTT (0.39) TSHRDGKACA12CA1CA2
SCHEMBL23853435 0.96 CA12 (0.37) TSHRDGKACA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3978466-B1 DIALKOXYALKENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A TERMINAL CONJUGATED ALKADIENAL COMPOUND FROM THE SAME SHINETSU CHEMICAL CO (JP) 2023-07-12 EP disclosed
EP-3885334-B1 PROCESS FOR PREPARING A FORMYLALKENYL ALKOXYMETHYL ETHER COMPOUND AND PROCESSES FOR PREPARING CONJUGATED DIENE COMPOUNDS FROM THE SAME SHINETSU CHEMICAL CO (JP) 2023-01-11 EP disclosed
US-11420919-B2 Process for preparing a formylalkenyl alkoxymethyl ether compound and processes for preparing conjugated diene compounds from the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-08-23 US disclosed
US-11414368-B2 Dialkoxyalkenyl alkoxymethyl ether compound and a process for preparing a terminal conjugated alkadienal compound from the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-08-16 US disclosed
US-20220106247-A1 DIALKOXYALKENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A TERMINAL CONJUGATED ALKADIENAL COMPOUND FROM THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2022-04-07 US disclosed
EP-3978466-A1 DIALKOXYALKENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A TERMINAL CONJUGATED ALKADIENAL COMPOUND FROM THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2022-04-06 EP disclosed
US-20210300854-A1 PROCESS FOR PREPARING A FORMYLALKENYL ALKOXYMETHYL ETHER COMPOUND AND PROCESSES FOR PREPARING CONJUGATED DIENE COMPOUNDS FROM THE SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2021-09-30 US disclosed
EP-3885334-A1 PROCESS FOR PREPARING A FORMYLALKENYL ALKOXYMETHYL ETHER COMPOUND AND PROCESSES FOR PREPARING CONJUGATED DIENE COMPOUNDS FROM THE SAME Shin-Etsu Chemical Co., Ltd. (JP) 2021-09-29 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 (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-20210300854-A1 PROCESS FOR PREPARING A FORMYLALKENYL ALKOXYMETHYL ETHER COMPOUND AND PROCESSES FOR PREPARING CONJUGATED DIENE COMPOUNDS FROM THE SAME ADH1C, ORC3, ADH1A TSHR 2411/4885DGKA 1667/4885ALDH1A1 18/4885
US-11420919-B2 Process for preparing a formylalkenyl alkoxymethyl ether compound and processes for preparing conjugated diene compounds from the same ADH1C, ORC3, ADH1A TSHR 2411/4885DGKA 1667/4885ALDH1A1 18/4885
US-11414368-B2 Dialkoxyalkenyl alkoxymethyl ether compound and a process for preparing a terminal conjugated alkadienal compound from the same OR10J3, AKR1C3, ORC3 TSHR 2983/4885DGKA 1842/4885ALDH1A1 57/4885
US-20220106247-A1 DIALKOXYALKENYL ALKOXYMETHYL ETHER COMPOUND AND A PROCESS FOR PREPARING A TERMINAL CONJUGATED ALKADIENAL COMPOUND FROM THE SAME OR10J3, AKR1C3, ORC3 TSHR 2983/4885DGKA 1842/4885ALDH1A1 57/4885

“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.