SCHEMBL14128652

SCHEMBL14128652

C=CCc1cc(CP)cc(CC=C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.42
PPARG P37231 2/20 0.42
PPARD Q03181 2/20 0.42
PPARA Q07869 1/20 0.42
XDH P47989 1/20 0.41
MAPT P10636 4/20 0.40
GABRA1 P14867 4/20 0.40
GABRB2 P47870 4/20 0.40
MEN1 O00255 3/20 0.40
GAA P10253 3/20 0.40
CNR2 P34972 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
CNR1 P21554 2/20 0.40
ALDH2 P05091 1/20 0.40
AKR1B1 P15121 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
TNKS O95271 2/20 0.37
PARP1 P09874 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
SCHEMBL215399 0.86 XDH (0.50) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL5010978 0.79 XDH (0.41) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL1245519 0.78 XDH (0.44) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL14944782 0.76
SCHEMBL4465260 0.74 XDH (0.41) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL12802107 0.74 ALDH1A1 (0.42) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL20391630 0.74 XDH (0.41) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL20391245 0.74 ALDH1A1 (0.42) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL15144566 0.74 XDH (0.41) ALDH1A1PPARGPPARDPPARAXDH
SCHEMBL2161291 0.74 XDH (0.41) ALDH1A1PPARGPPARDPPARAXDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9108912-B2 Hydroformylation process UMICORE AG & CO. KG (DE) 2015-08-18 US disclosed
US-8791305-B2 Ligands and catalyst systems for hydroformylation processes UMICORE AG & CO. KG (DE) 2014-07-29 US disclosed
US-20140114090-A1 LIGANDS AND CATALYST SYSTEMS FOR HYDROFORMYLATION PROCESSES UMICORE AG & CO. KG (DE) 2014-04-24 US disclosed
WO-2012163837-A1 LIGANDS AND CATALYST SYSTEMS FOR HYDROFORMYLATION PROCESSES UMICORE AG & CO. KG (DE) 2012-12-06 WO 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-20140114090-A1 LIGANDS AND CATALYST SYSTEMS FOR HYDROFORMYLATION PROCESSES ADH5, HRH4, ADH1C ALDH1A1 196/4885PPARG 3686/4885PPARD 3376/4885

“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.