SCHEMBL9634826

SCHEMBL9634826

O=CC#CCCCCCCCl

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL16161108 1.00 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL16161096 1.00 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL16161158 1.00 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL16161135 1.00 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL16161165 1.00 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL16161157 0.98
SCHEMBL16161241 0.90
SCHEMBL16161246 0.79
SCHEMBL16161213 0.76
SCHEMBL9633790 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789602-B1 Omega-halo-2-alkynal, method for producing the same, and method for producing conjugated Z-alken-yn-yl acetate using the same SHINETSU CHEMICAL CO (JP) 2017-12-27 EP disclosed
US-9550720-B2 Method for producing an ω-halo-2-alkynal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2017-01-24 US disclosed
US-9376368-B2 Method for producing a conjugated Z-alken-yn-yl acetate SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-06-28 US disclosed
US-20160107978-A1 METHOD FOR PRODUCING A CONJUGATED Z-ALKEN-YN-YL ACETATE SHINETSU CHEMICAL CO (JP) 2016-04-21 US disclosed
US-20160107969-A1 METHOD FOR PRODUCING AN OMEGA-HALO-2-ALKYNAL SHINETSU CHEMICAL CO (JP) 2016-04-21 US disclosed
US-9255056-B2 Omega-halo-2-alkynal SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-02-09 US disclosed
US-20140309452-A1 OMEGA-HALO-2-ALKYNAL, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING CONJUGATED Z-ALKEN-YN-YL ACETATE USING SAME SHIN-ETSU CHEMICAL CO., LTD. (JP) 2014-10-16 US disclosed
EP-2789602-A1 Omega-halo-2-alkynal, method for producing same, and method for producing conjugated Z-alken-yn-yl acetate using same SHIN-ETSU CHEMICAL CO., LTD (JP) 2014-10-15 EP disclosed
EP-0241335-B1 1-SUBSTITUTED CONJUGATED ALKA-(E,Z)-DIENE COMPOUNDS AND A METHOD FOR THE PREPARATION THEREOF Shin-Etsu Chemical Co., Ltd. (JP) 1992-06-03 EP disclosed
EP-0241335-A1 1-substituted conjugated alka-(E,Z)-diene compounds and a method for the preparation thereof Shin-Etsu Chemical Co., Ltd. (JP) 1987-10-14 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 (3 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-20140309452-A1 OMEGA-HALO-2-ALKYNAL, METHOD FOR PRODUCING SAME, AND METHOD FOR PRODUCING CONJUGATED Z-ALKEN-YN-YL ACETATE USING SAME NOTUM, SOAT2, FASN ALDH1A1 641/4885TSHR 1718/4885
US-20160107969-A1 METHOD FOR PRODUCING AN OMEGA-HALO-2-ALKYNAL HACL2, FASN, ALOX5 ALDH1A1 754/4885TSHR 1670/4885
US-20160107978-A1 METHOD FOR PRODUCING A CONJUGATED Z-ALKEN-YN-YL ACETATE HACL2, FASN, ZYX ALDH1A1 742/4885TSHR 1278/4885

“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.