SCHEMBL6930076

SCHEMBL6930076

CC(C)OC(=O)C(N)CCO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37
GABRG1 Q8N1C3 2/20 0.37
GABRG3 Q99928 2/20 0.37
GABRQ Q9UN88 2/20 0.37
LMNA P02545 2/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34

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
SCHEMBL60923 1.00 TSHR (0.37) TSHRGABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL31223210 0.98 TSHR (0.36) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL28024261 0.88 TSHR (0.34) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL15075211 0.83 SLC1A2 (0.39) TSHRLMNAALDH1A1SLC1A3SLC1A2
SCHEMBL10205198 0.83 SLC1A2 (0.39) TSHRLMNAALDH1A1SLC1A3SLC1A2
SCHEMBL2494012 0.82 TSHR (0.40) TSHRLMNACYP4F2CYP4A11SLC7A5
SCHEMBL4534790 0.82 TSHR (0.40) TSHRLMNACYP4F2CYP4A11SLC7A5
SCHEMBL2494007 0.82 TSHR (0.40) TSHRLMNACYP4F2CYP4A11SLC7A5
SCHEMBL18075114 0.81 TSHR (0.36) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL28798282 0.81 GABRP (0.35) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107384846-A Produce microorganism and the correlation technique of 1,4 butanediols 基因组股份公司 2017-11-24 CN disclosed
US-20030138864-A1 Method for identifying an enzyme to design anti-cancer compounds CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-07-24 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-20030138864-A1 Method for identifying an enzyme to design anti-cancer compounds RNASE1, GUSB, DPEP1 TSHR 4521/4885GABRP 2687/4885GABRD 2064/4885

“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.