SCHEMBL16805947

SCHEMBL16805947

CC(C)CC(N)c1cccc(OCC(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.54
▸ KMT2A Q03164 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ FFAR1 O14842 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ PPARG P37231 1/20 0.45
▸ PPARA Q07869 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ PTPN7 P35236 1/20 0.44
▸ PLA2G4B P0C869 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MEN1 O00255 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ PTGDR2 Q9Y5Y4 1/20 0.42
▸ MAPT P10636 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ PTGIR P43119 1/20 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
SCHEMBL15245059 0.86 LMNA (0.56) LMNAKMT2ASMN1; SMN2FFAR1ALOX15
SCHEMBL16805948 0.85 CYSLTR2 (0.50) LMNAKMT2ASMN1; SMN2FFAR1ALDH1A1
SCHEMBL5517321 0.82 LMNA (0.63) LMNAKMT2ASMN1; SMN2FFAR1ALOX15
Hydrochloric Acid SCHEMBL5763332 0.81 FFAR1 (0.61) LMNAKMT2ASMN1; SMN2FFAR1ALOX15
SCHEMBL15063472 0.76 LMNA (0.68) LMNAALOX15PPARGPPARAALDH1A1
SCHEMBL18812632 0.76 LMNA (0.51) LMNASMN1; SMN2FFAR1ALOX15PPARG
SCHEMBL16805958 0.75 FABP4 (0.40) LMNAKMT2AALDH1A1MAPK1MEN1
SCHEMBL413254 0.75 LMNA (0.81) LMNAKMT2AFFAR1ALOX15PPARG
SCHEMBL7872215 0.74 LMNA (0.70) LMNASMN1; SMN2FFAR1ALOX15PPARG
SCHEMBL6976431 0.74 KMT2A (0.62) LMNAKMT2ASMN1; SMN2FFAR1PPARG

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-9481684-B2 Gonadotropin releasing hormone receptor antagonists, method for the preparation thereof and pharmaceutical composition comprising the same SK CHEMICALS CO., LTD. (KR) 2016-11-01 — — US disclosed
US-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SK CHEMICALS CO., LTD. (KR) 2015-06-18 — — 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-20150166558-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS, METHOD FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME GNRHR, FSHR, GHRHR LMNA 417/4885KMT2A 1817/4885SMN1; SMN2 1582/4885

“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.

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