SCHEMBL9650127

SCHEMBL9650127

C=CCC(CO)C(O)c1ccccc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
AGTR1 P30556 1/20 0.43
CYP1A2 P05177 1/20 0.43
ACHE P22303 3/20 0.39
CYP3A4 P08684 3/20 0.38
CYP2D6 P10635 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
KCNH2 Q12809 1/20 0.38
HTT P42858 2/20 0.37
POLB P06746 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
MEN1 O00255 2/20 0.37
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL9650334 0.83 GAA (0.37) CYP1A2CYP3A4CYP2D6SLC6A2SLC6A4
SCHEMBL16311781 0.81 IDO1 (0.40) LMNAAGTR1CYP1A2ACHECYP2D6
SCHEMBL9715173 0.79 KRAS (0.30)
SCHEMBL3234431 0.79 ACHE (0.44) LMNAAGTR1CYP1A2ACHECYP3A4
SCHEMBL9647516 0.79 CYP3A4 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL9650911 0.78 CES2 (0.36) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL14143601 0.78 LMNA (0.40) LMNAAGTR1CYP1A2CYP3A4CYP2D6
SCHEMBL13086065 0.76 LMNA (0.42) LMNAAGTR1CYP1A2HTTPOLB
SCHEMBL10075131 0.76 LMNA (0.42) LMNAAGTR1CYP1A2HTTPOLB
SCHEMBL10075125 0.76 LMNA (0.42) LMNAAGTR1CYP1A2HTTPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9260406-B2 Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA (CH) 2016-02-16 US disclosed
US-9260406-B2 Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA (CH) 2016-02-16 US disclosed
US-20140288110-A1 PPAR MODULATORS EVOLVA SA (CH) 2014-09-25 US disclosed
US-20140288110-A1 PPAR MODULATORS EVOLVA SA (CH) 2014-09-25 US disclosed
US-20130267561-A1 Substituted 1,3-Dioxanes Useful as PPAR Modulators EVOLVA SA (CH) 2013-10-10 US disclosed
US-20130267561-A1 Substituted 1,3-Dioxanes Useful as PPAR Modulators EVOLVA SA (CH) 2013-10-10 US disclosed
US-8536196-B2 Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA (CH) 2013-09-17 US disclosed
US-8536196-B2 Substituted 1,3-dioxanes useful as PPAR modulators EVOLVA SA (CH) 2013-09-17 US disclosed
US-20110178112-A1 PPAR Modulators EVOLVA SA (CH) 2011-07-21 US disclosed
US-20110178112-A1 PPAR Modulators EVOLVA SA (CH) 2011-07-21 US disclosed
US-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS EVOLVA SA (CH) 2010-07-01 US disclosed
US-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS EVOLVA SA (CH) 2010-07-01 US disclosed
US-5166377-A Thromboxane A2 antagonist as coagulants or vasoconstrictors IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-11-24 US disclosed
US-4745198-A CARDIOVASCULAR DISORDERS, BRONCHODILATOR AGENTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-05-17 US disclosed
US-4567197-A THORMBOXANE A2 ANTAGONISTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-01-28 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 (4 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-20110178112-A1 PPAR Modulators PPARD, PPARG, PPARA LMNA 3708/4885AGTR1 1596/4885CYP1A2 1093/4885
US-20140288110-A1 PPAR MODULATORS PPARD, PPARG, PPARA LMNA 3708/4885AGTR1 1596/4885CYP1A2 1093/4885
US-20100168169-A1 SUBSTITUTED 1,3-DIOXANES USEFUL AS PPAR MODULATORS PPARD, PPARG, PPARA LMNA 2910/4885AGTR1 846/4885CYP1A2 592/4885
US-20130267561-A1 Substituted 1,3-Dioxanes Useful as PPAR Modulators PPARD, PPARG, PPARA LMNA 2910/4885AGTR1 846/4885CYP1A2 592/4885

“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.