SCHEMBL2290899

SCHEMBL2290899

CCCCCCCCOS(=O)(=O)[O-].Cc1n(CC(=O)N2CCCC2)cc[n+]1C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.41
RECQL P46063 3/20 0.41
HPGD P15428 3/20 0.41
MAPK1 P28482 2/20 0.41
GLA P06280 1/20 0.41
EPHX2 P34913 1/20 0.41
BLM P54132 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
ALDH1A1 P00352 7/20 0.32
KDM4E B2RXH2 4/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HSD17B10 Q99714 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 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
SCHEMBL2289784 0.82 HPGD (0.43) TSHRRECQLHPGDMAPK1GLA
SCHEMBL526257 0.81 RECQL (0.51) TSHRRECQLHPGDMAPK1GLA
SCHEMBL2291024 0.79 RECQL (0.40) TSHRRECQLHPGDMAPK1GLA
Bromide SCHEMBL15258667 0.79 ALDH1A1 (0.43) TSHRL3MBTL1ALDH1A1KDM4ELMNA
Hydrochloric Acid SCHEMBL3845139 0.79 ALDH1A1 (0.43) TSHRL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL2293066 0.78 RECQL (0.40) TSHRRECQLHPGDMAPK1GLA
SCHEMBL3647751 0.78 HPGD (0.41) TSHRRECQLHPGDMAPK1GLA
SCHEMBL2290985 0.78 RECQL (0.39) TSHRRECQLHPGDMAPK1GLA
SCHEMBL2288586 0.78 RECQL (0.39) TSHRRECQLHPGDMAPK1GLA
Hydrochloric Acid SCHEMBL3850494 0.78 ALDH1A1 (0.45) TSHRHPGDL3MBTL1ALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2183220-B1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY UNIV DUBLIN CITY (IE) 2016-11-09 EP disclosed
US-8541598-B2 Biodegradable solvents for the chemical industry DUBLIN CITY UNIVERSITY (IE) 2013-09-24 US disclosed
US-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY DUBLIN CITY UNIVERSITY (IE) 2011-08-18 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-20110201824-A1 BIODEGRADABLE SOLVENTS FOR THE CHEMICAL INDUSTRY TIMM9, B2M, TIMM44 TSHR 2999/4885RECQL 3900/4885HPGD 409/4885

“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.