SCHEMBL15909702

SCHEMBL15909702

C=C(C)C(=O)OCCOC(C)N1CCCCCC1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
LMNA P02545 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
TSHR P16473 3/20 0.36
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33

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
SCHEMBL11734829 0.95 LMNA (0.40) THRBLMNACA12CA1CA2
SCHEMBL15909718 0.93 POLB (0.38) THRBLMNACA12CA1CA2
SCHEMBL15909720 0.93 POLB (0.41) THRBLMNACA12CA1CA2
SCHEMBL15909727 0.88 POLB (0.42) THRBLMNACA12CA1CA2
SCHEMBL15909726 0.83 LMNA (0.41) THRBLMNACA12CA1CA2
SCHEMBL19145906 0.83 LMNA (0.39) LMNACA12CA1CA2CA3
SCHEMBL15909699 0.82 TSHR (0.37) THRBLMNACA12CA1CA2
SCHEMBL15909722 0.79 TSHR (0.41) LMNACA12CA1CA2CA3
SCHEMBL15909728 0.78 LMNA (0.39) LMNACA12CA1CA2CA3
SCHEMBL15909697 0.77 LMNA (0.40) THRBLMNACA12CA1CA2

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
US-9751866-B2 Hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds ISP INVESTMENTS LLC (US) 2017-09-05 US disclosed
US-9751866-B2 Hemi-aminal ethers and thioethers of N-alkenyl cyclic compounds ISP INVESTMENTS LLC (US) 2017-09-05 US disclosed
US-20150344461-A1 HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS ISP INVESTMENTS INC. (US) 2015-12-03 US disclosed
US-20150344461-A1 HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS ISP INVESTMENTS INC. (US) 2015-12-03 US disclosed
WO-2014116560-A1 HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS ISP INVESTMENTS INC. (US) 2014-07-31 WO 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 (1 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-20150344461-A1 HEMI-AMINAL ETHERS AND THIOETHERS OF N-ALKENYL CYCLIC COMPOUNDS TST, AHR, ALOX12 THRB 1133/4885LMNA 2026/4885CA12 4409/4885

“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.