SCHEMBL367873

SCHEMBL367873

C=C(C)C(=O)C(O)C[N+](C)(C)C.CCOP(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 1/20 0.35
PGK2 P07205 1/20 0.35
SLC22A16 Q86VW1 1/20 0.33
BTN3A1 O00481 1/20 0.32
TSHR P16473 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
TBXA2R P21731 1/20 0.32
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
HRH1 P35367 1/20 0.31
KMT2A Q03164 1/20 0.31
GALR3 O60755 1/20 0.31
MAPT P10636 1/20 0.31
BLM P54132 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PGD P52209 1/20 0.30

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
SCHEMBL718907 0.82 SLC22A16 (0.45) SLC22A16TSHRCHRM2CHRM4CHRM1
Iodide SCHEMBL10588910 0.80 SLC22A16 (0.43) SLC22A16TSHRCHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL719321 0.80 MAPT (0.43) SLC22A16TSHRCHRM2CHRM4CHRM1
Hydrochloric Acid SCHEMBL9580738 0.80 SLC22A16 (0.43) SLC22A16TSHRCHRM2CHRM4CHRM1
Water SCHEMBL16341077 0.80 SLC22A16 (0.43) SLC22A16TSHRCHRM2CHRM4CHRM1
SCHEMBL11860852 0.75 PGK1 (0.57) PGK1PGK2TSHRPGD
SCHEMBL1982897 0.74 BTN3A1 (0.37) BTN3A1TSHR
SCHEMBL27997830 0.74 PGK1 (0.55) PGK1PGK2TSHRPGD
Methacrylic Acid SCHEMBL1877845 0.73 PEPD (0.41) PGK1PGK2BTN3A1TSHRPGD
SCHEMBL27783396 0.73 PPARD (0.39) BTN3A1TSHR

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
US-8445612-B2 Conjugation reactions BIOCOMPATIBLES UK LIMITED (GB) 2013-05-21 US disclosed
US-20120016082-A1 CONJUGATION REACTIONS BIOCOMPATIBLES UK LIMITED (GB) 2012-01-19 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-20120016082-A1 CONJUGATION REACTIONS PHPT1, GNE, MGMT PGK1 2727/4885PGK2 1569/4885SLC22A16 2094/4885

“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.