SCHEMBL16805950

SCHEMBL16805950

CC(C)C[C@H](N)c1ccc(OCCCC(=O)O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ GAA P10253 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ PPARA Q07869 2/20 0.44
▸ PLA2G4B P0C869 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MMP13 P45452 1/20 0.44
▸ HPGD P15428 3/20 0.44
▸ SLC2A1 P11166 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ SERPINE1 P05121 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ S1PR1 P21453 1/20 0.43
▸ S1PR3 Q99500 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ FFAR4 Q5NUL3 1/20 0.42

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
SCHEMBL15245049 0.85 ESR1 (0.51) L3MBTL1ESR1POLBTDP1GAA
SCHEMBL16805948 0.84 CYSLTR2 (0.50) HPGDALDH1A1FFAR1FFAR4
SCHEMBL15942954 0.82 MEN1 (0.55) L3MBTL1ESR1POLBTDP1GAA
SCHEMBL27586085 0.79 MAPT (0.50) POLBGAAHTTHPGDSLC2A1
SCHEMBL2526272 0.78 GAA (0.53) L3MBTL1ESR1POLBTDP1GAA
SCHEMBL31448501 0.78 PPARA (0.65) L3MBTL1GAAPPARAPLA2G4BSERPINE1
SCHEMBL2180164 0.77 L3MBTL1 (0.57) L3MBTL1POLBTDP1GAAHTT
SCHEMBL765850 0.76 L3MBTL1 (0.58) L3MBTL1PPARAPLA2G4BFFAR1
SCHEMBL28633426 0.76 PPARA (0.56) L3MBTL1POLBTDP1PPARAPLA2G4B
SCHEMBL29089242 0.74 PLA2G4B (0.68) L3MBTL1GAAPPARAPLA2G4B

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 L3MBTL1 4743/4885ESR1 56/4885POLB 999/4885

“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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