SCHEMBL13239986

SCHEMBL13239986

COC(=O)CCC1CN(S(=O)(=O)c2ccc(C(C)C)cc2)c2ccc(OC)cc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 5/20 0.56
▸ ALDH1A1 P00352 6/20 0.43
▸ LMNA P02545 2/20 0.43
▸ TP53 P04637 1/20 0.42
▸ MEN1 O00255 4/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ GAA P10253 2/20 0.42
▸ TSHR P16473 2/20 0.42
▸ POLB P06746 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ HTR2A P28223 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ HDAC3 O15379 1/20 0.39
▸ HDAC4 P56524 1/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC7 Q8WUI4 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39

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
SCHEMBL13964619 0.92 HTR6 (0.62) HTR6ALDH1A1LMNAMEN1KMT2A
SCHEMBL13743515 0.91 HTR6 (0.60) HTR6ALDH1A1LMNATP53MEN1
SCHEMBL14262595 0.89 HTR6 (0.58) HTR6ALDH1A1LMNAMEN1KMT2A
SCHEMBL13368569 0.88 HTR6 (0.71) HTR6ALDH1A1LMNATP53MEN1
SCHEMBL13947708 0.87 HTR6 (0.54) HTR6ALDH1A1MEN1KMT2APOLB
SCHEMBL13947543 0.86 HTR6 (0.55) HTR6ALDH1A1POLBSMN1; SMN2NPSR1
SCHEMBL13947147 0.86 HTR6 (0.55) HTR6ALDH1A1LMNAMEN1KMT2A
SCHEMBL13240022 0.86 HTR6 (0.55) HTR6ALDH1A1LMNAMEN1KMT2A
SCHEMBL13947148 0.85 HTR6 (0.62) HTR6ALDH1A1MEN1KMT2APOLB
SCHEMBL13946951 0.85 HTR6 (0.58) HTR6ALDH1A1LMNATP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8367828-B2 PPAR active compounds PLEXXIKON INC. (US) 2013-02-05 — — US disclosed
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2010-08-19 — — US disclosed
US-7572806-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-08-11 — — US disclosed
US-7476746-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-01-13 — — US disclosed
US-20080096913-A1 PPAR active compounds PLEXXIKON, INC. 2008-04-24 — — US disclosed
US-7348338-B2 PPAR active compounds PLEXXIKON, INC. (US) 2008-03-25 — — US disclosed
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. 2007-06-28 — — 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 (3 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-20080096913-A1 PPAR active compounds PPARG, PPARD, PPARA HTR6 1004/4885ALDH1A1 1171/4885LMNA 2137/4885
US-20070149603-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HTR6 1004/4885ALDH1A1 1171/4885LMNA 2137/4885
US-20100210036-A1 PPAR ACTIVE COMPOUNDS PPARG, PPARD, PPARA HTR6 1004/4885ALDH1A1 1171/4885LMNA 2137/4885

“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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