SCHEMBL4298978

SCHEMBL4298978

CCCOC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
MLNR O43193 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HRH1 P35367 1/20 0.46
OPRM1 P35372 1/20 0.46
DRD3 P35462 1/20 0.46
OPRK1 P41145 1/20 0.46
HTR2B P41595 1/20 0.46
SLC6A3 Q01959 1/20 0.46
KCNH2 Q12809 1/20 0.46
CACNA1C Q13936 1/20 0.46
CYP2C19 P33261 3/20 0.44
HIF1A Q16665 1/20 0.44
ALDH1A1 P00352 5/20 0.43
CHRM4 P08173 1/20 0.43
CHRM5 P08912 1/20 0.43

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
SCHEMBL27663466 0.91 TSHR (0.45) LMNACHRM2CHRM1CHRM3MLNR
SCHEMBL1165789 0.90 TSHR (0.46) LMNACHRM2OPRK1HTR2BSLC6A3
SCHEMBL4041867 0.89 TSHR (0.47) LMNACHRM2OPRK1HTR2BSLC6A3
SCHEMBL6898466 0.87 CYP2C19 (0.46) LMNACHRM2CHRM1CHRM3CYP2C19
SCHEMBL1670311 0.87 CYP2C19 (0.46) LMNACHRM2CHRM1CHRM3CYP2C19
SCHEMBL3702043 0.83 PPARG (0.46) LMNACHRM2CHRM1CHRM3CYP2C19
SCHEMBL2443032 0.83 CHRM2 (0.54) LMNACHRM2CHRM1CHRM3MLNR
SCHEMBL4759819 0.83 KDM4E (0.43) LMNACYP2C19HIF1AALDH1A1PPARG
Hydrochloric Acid SCHEMBL4541197 0.81 CHRM2 (0.52) LMNACHRM2CHRM1CHRM3MLNR
Citric Acid SCHEMBL7430817 0.81 KDM4E (0.45) LMNACYP2C19HIF1AALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200155568-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2020-05-21 US disclosed
US-10555952-B2 Pharmaceutical compositions and methods for anesthesiological applications MELT PHARMACEUTICALS, INC. (US) 2020-02-11 US disclosed
US-20180303847-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS FIFTH THIRD BANK, NATIONAL ASSOCIATION, AS AGENT 2018-10-25 US disclosed
US-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS LABORATORIOS SALVAT, S.A. (ES) 2009-04-02 US disclosed
US-7423172-B2 Tyrosine derivatives as PPAR-γ-modulators LABORATORIOS SALVAT, S.A. (ES) 2008-09-09 US disclosed
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators LABORATORIES SALVAT, S.A. (ES) 2007-11-29 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 (5 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-20090088438-A1 NEW TYROSINE DERIVATIVES AS PPARy MODULATORS PPARG, PPARD, TYRO3 LMNA 4048/4885CHRM2 266/4885CHRM1 309/4885
US-10555952-B2 Pharmaceutical compositions and methods for anesthesiological applications GRIN2B, GRIN3A, GABRA5 LMNA 2707/4885CHRM2 85/4885CHRM1 105/4885
US-20200155568-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRA5 LMNA 2707/4885CHRM2 85/4885CHRM1 105/4885
US-20180303847-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR ANESTHESIOLOGICAL APPLICATIONS GRIN2B, GRIN3A, GABRA5 LMNA 2707/4885CHRM2 85/4885CHRM1 105/4885
US-20070276043-A1 Tyrosine Derivatives As Ppar-Gamma-Modulators PPARG, PPARD, PPARA LMNA 3937/4885CHRM2 158/4885CHRM1 176/4885

“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.