SCHEMBL16384388

SCHEMBL16384388

CCCOCCOCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
KDM4E B2RXH2 5/20 0.38
DNM1 Q05193 4/20 0.38
USP2 O75604 1/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALDH1A1 P00352 3/20 0.34
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 3/20 0.33
RAB9A P51151 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
SCHEMBL2361608 0.97
Ammonia Solution, Strong SCHEMBL28832389 0.94 CA12 (0.43) CA12CA1CA2CA9ADRB2
SCHEMBL3973874 0.88 CA12 (0.56) CA12CA1CA2CA9ADRB2
SCHEMBL12918862 0.88 CA12 (0.56) CA12CA1CA2CA9ADRB2
SCHEMBL19801514 0.87 CA12 (0.40) CA12CA1CA2CA9ADRB2
SCHEMBL16298585 0.86 CA12 (0.38) CA12CA1CA2CA9ADRB2
Ammonia Solution, Strong SCHEMBL17238502 0.85 CA12 (0.54) CA12CA1CA2CA9ADRB2
SCHEMBL15091 0.85 CA12 (0.52) CA12CA1CA2CA9ADRB2
SCHEMBL13668206 0.84 DNM1 (0.46) CA12CA1CA2CA9KDM4E
SCHEMBL12865461 0.83 LMNA (0.40) CA12CA1CA2CA9KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024054953-A1 HETEROBIFUNCTIONAL COMPOUNDS AND METHODS OF TREATING DISEASE HALDA THERAPEUTICS OPCO, INC. (US) 2024-03-14 WO disclosed
WO-2019013790-A1 ANTIMICROBIAL COMPOUNDS AND USES THEREOF CURZA GLOBAL, LLC (US) 2019-01-17 WO disclosed
EP-3148674-B1 ABSORBENT SOLUTION CONTAINING A MIXTURE OF 1,2-BIS-(2-DIMETHYLAMINOETHOXY)-ETHANE AND 2-[2-(2- DIMETHYLAMINOETHOXY)-ETHOXY]-ETHANOL, AND METHOD FOR ELIMINATING ACID COMPOUNDS FROM A GAS EFFLUENT IFP ENERGIES NOW (FR) 2018-07-11 EP disclosed
US-9962645-B2 Absorbent solution containing a mixture of 1,2-bis-(2-dimethylaminoethoxy)-ethane and of 2-[2-(2-dimethylaminoethoxy)-ethoxy]-ethanol, and method of removing acid compounds from a gaseous effluent IFP Energies Nouvelles (FR) 2018-05-08 US disclosed
US-20170197176-A1 ABSORBENT SOLUTION CONTAINING A MIXTURE OF 1,2-BIS-(2-DIMETHYLAMINOETHOXY)-ETHANE AND OF 2-[2-(2-DIMETHYLAMINOETHOXY)-ETHOXY]-ETHANOL, AND METHOD OF REMOVING ACID COMPOUNDS FROM A GASEOUS EFFLUENT IFP Energies Nouvelles (FR) 2017-07-13 US disclosed
EP-2653484-B1 SURFACE MODIFICATION METHOD, SURFACE-MODIFIED ELASTIC BODY, SYRINGE GASKET, SYRINGE, AND TIRE SUMITOMO RUBBER IND (JP) 2017-02-15 EP disclosed
US-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 ENSEMBLE THERAPEUTICS CORPORATION 2015-01-01 US 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-20150005319-A1 MACROCYCLIC COMPOUNDS FOR MODULATING IL-17 IL17A, IL15, IL2 CA12 4051/4885CA1 4748/4885CA2 4758/4885

“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.