SCHEMBL3687136

SCHEMBL3687136

CCCCCCCCCCCCOc1ccc(C=C(C(=O)OCC)C(=O)OCC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.62
MEN1 O00255 6/20 0.59
KMT2A Q03164 6/20 0.59
MAPT P10636 6/20 0.58
LMNA P02545 2/20 0.58
NPSR1 Q6W5P4 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
S1PR4 O95977 1/20 0.58
S1PR1 P21453 1/20 0.58
MAPK1 P28482 1/20 0.58
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 2/20 0.51
NR5A1 Q13285 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 3/20 0.49
HSP90AA1 P07900 2/20 0.49
HPGD P15428 1/20 0.49

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
SCHEMBL8332854 1.00 NR1H4 (0.62) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL9473881 0.99 NR1H4 (0.64) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL11330304 0.96 NR1H4 (0.67) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL9473890 0.92 NR1H4 (0.60) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL1333051 0.89 NR1H4 (0.62) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL31483445 0.87 NR1H4 (0.56) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL10909228 0.86 PLA2G4B (0.53) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL10906893 0.86 PLA2G4B (0.53) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL11100803 0.85 NR1H4 (0.72) NR1H4MEN1KMT2AMAPTLMNA
SCHEMBL13445493 0.85 LMNA (0.49) NR1H4MEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683202-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-23 US disclosed
US-7683202-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORPORATION (US) 2010-03-23 US disclosed
US-20080249252-A1 New permanent surface modifiers PICCINELLI PIERO 2008-10-09 US disclosed
US-20080249252-A1 New permanent surface modifiers PICCINELLI PIERO 2008-10-09 US disclosed
US-7408077-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 US disclosed
US-7408077-B2 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORP. (US) 2008-08-05 US disclosed
US-20040162431-A1 Permanent surface modifiers CIBA SPECIALTY CHEMICALS CORP. 2004-08-19 US disclosed
EP-1373183-A1 PERMANENT SURFACE MODIFIERS Ciba SC Holding AG (CH) 2004-01-02 EP disclosed
WO-2002072530-A1 PERMANENT SURFACE MODIFIERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2002-09-19 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-20080249252-A1 New permanent surface modifiers SGMS1, SGMS2, PLIN5 NR1H4 1980/4885MEN1 4358/4885KMT2A 1186/4885

“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.