SCHEMBL2996964

SCHEMBL2996964

CC(N)OCCCC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRA4 P48169 3/20 0.46
GABRE P78334 3/20 0.46
GABRA6 Q16445 3/20 0.46
GABRG1 Q8N1C3 3/20 0.46
GABRG3 Q99928 3/20 0.46
GABRQ Q9UN88 3/20 0.46
ALDH1A1 P00352 3/20 0.43
LMNA P02545 3/20 0.42
SLC22A6 Q4U2R8 2/20 0.42
TSHR P16473 5/20 0.41

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
SCHEMBL2992341 0.86
SCHEMBL172715 0.82 ALDH1A1 (0.46) ALDH1A1LMNASLC22A6TSHRHDAC11
SCHEMBL26547452 0.79 TSHR (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8986739 0.79 AKR1B1 (0.52) ALDH1A1LMNASLC22A6TSHRHDAC11
SCHEMBL4082897 0.78 ALDH1A1 (0.43) ALDH1A1LMNASLC22A6TSHRHDAC11
SCHEMBL8400576 0.78 ALDH1A1 (0.43) ALDH1A1LMNASLC22A6TSHRHDAC11
SCHEMBL2682110 0.77 AKR1B1 (0.43) ALDH1A1LMNASLC22A6TSHRHDAC11
SCHEMBL18686280 0.77 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL18668790 0.77 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14018898 0.76 ALDH1A1 (0.56) ALDH1A1LMNASLC22A6TSHRHDAC11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100189798-A1 CONTROL OF ERWINIA AMYLOVORA WITH VINYLGLYCINES AND BACTERIA THAT PRODUCE VINYLGLYCINES THE STATE OF OREGON ACTING BY AND THROUGH THE STATE BOARD OF HIGHER EDUCATION ON BEHALF OF 2010-07-29 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-20100189798-A1 CONTROL OF ERWINIA AMYLOVORA WITH VINYLGLYCINES AND BACTERIA THAT PRODUCE VINYLGLYCINES GLO1, MGAM, AGL GABRP 2550/4885GABRD 2344/4885GABRA1 2372/4885

“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.