SCHEMBL2219641

SCHEMBL2219641

CC(C)(C)c1ccccc1COC1CCCN1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.42
RIPK1 Q13546 1/20 0.40
DPP4 P27487 2/20 0.38
LMNA P02545 1/20 0.38
RBP4 P02753 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 2/20 0.38
MAPT P10636 1/20 0.38
TTR P02766 1/20 0.37
TACR1 P25103 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CARM1 Q86X55 1/20 0.36
PRMT6 Q96LA8 1/20 0.36
KDM4E B2RXH2 1/20 0.36
FKBP1A P62942 2/20 0.36
KLK7 P49862 1/20 0.36
FAP Q12884 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL1580142 0.80 L3MBTL1 (0.39) LMNAMEN1KMT2AKDM4EFKBP1A
SCHEMBL21460359 0.79 SMN1; SMN2 (0.47) TACR1FKBP1AKLK7
SCHEMBL5754951 0.72 KLK7 (0.59) RIPK1LMNAMEN1KMT2AMAPT
SCHEMBL14261315 0.71 CARM1 (0.47) LMNATTRTACR1ALDH1A1CARM1
SCHEMBL12894320 0.70 CARM1 (0.46) LMNATTRTACR1CARM1PRMT6
SCHEMBL14261348 0.70 CARM1 (0.55) MEN1KMT2ATTRCARM1PRMT6
SCHEMBL23795169 0.69 ALDH1A1 (0.38) DPP4LMNAGAAMAPTALDH1A1
SCHEMBL8054283 0.69 SMN1; SMN2 (0.47) MEN1KMT2AGAATACR1ALDH1A1
SCHEMBL5010541 0.68 ALDH1A1 (0.51) FFAR1RIPK1DPP4GAAALDH1A1
SCHEMBL27094812 0.68 RIPK1 (0.43) RIPK1DPP4LMNAALDH1A1FKBP1A

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
US-8785452-B2 Anti-infective compounds INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2014-07-22 US disclosed
EP-2730576-A2 Anti-infective compounds Institut Pasteur Korea (KR) 2014-05-14 EP disclosed
US-20110178077-A1 Anti-infective compounds INSTITUT PASTEUR KOREA (KR) 2011-07-21 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-20110178077-A1 Anti-infective compounds RABGGTB, ELANE, SERPINB1 FFAR1 4298/4885RIPK1 1500/4885DPP4 404/4885

“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.