SCHEMBL3835541

SCHEMBL3835541

CCCCCCCCOc1ccccc1C(=O)C=O

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.68
CYP3A4 P08684 2/20 0.68
MAPT P10636 2/20 0.68
MEN1 O00255 1/20 0.68
NR1I2 O75469 1/20 0.68
CHRM2 P08172 1/20 0.68
ADRA2A P08913 1/20 0.68
OPRK1 P41145 1/20 0.68
HTR2B P41595 1/20 0.68
SLC6A3 Q01959 1/20 0.68
KMT2A Q03164 1/20 0.68
HDAC6 Q9UBN7 1/20 0.68
NPSR1 Q6W5P4 1/20 0.54
ALDH1A1 P00352 4/20 0.54
TSHR P16473 2/20 0.54
PTPN11 Q06124 2/20 0.53
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
CNR1 P21554 3/20 0.50
CNR2 P34972 3/20 0.50

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
SCHEMBL11602712 0.94 LMNA (0.59) LMNACYP3A4MAPTMEN1NR1I2
Water SCHEMBL11089583 0.92 LMNA (0.57) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL15154872 0.84 LMNA (0.77) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL2457396 0.83 LMNA (0.70) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL7588539 0.83 LMNA (0.70) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL3665313 0.83 KMT2A (0.74) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL168816 0.83 KMT2A (0.74) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL8800133 0.83 LMNA (0.74) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL527254 0.83 KMT2A (0.74) LMNACYP3A4MAPTMEN1NR1I2
SCHEMBL112985 0.83 KMT2A (0.74) LMNACYP3A4MAPTMEN1NR1I2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8445630-B2 Polymers BASF SE (DE) 2013-05-21 US disclosed
US-8445630-B2 Polymers BASF SE (DE) 2013-05-21 US disclosed
US-8445630-B2 Polymers BASF SE (DE) 2013-05-21 US disclosed
EP-1858976-B1 NOVEL POLYMERS BASF SE (DE) 2009-10-14 EP disclosed
EP-1858976-B1 NOVEL POLYMERS BASF SE (DE) 2009-10-14 EP disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 US disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 US disclosed
US-20090105447-A1 Novel Polymers UDC IRELAND LIMITED (IE) 2009-04-23 US disclosed
EP-1858976-A1 NOVEL POLYMERS Ciba Specialty Chemicals Holding Inc. (CH) 2007-11-28 EP disclosed
WO-2006097419-A1 NOVEL POLYMERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-09-21 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-20090105447-A1 Novel Polymers PLEC, VIM, PUF60 LMNA 2836/4885CYP3A4 2377/4885MAPT 123/4885

“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.