SCHEMBL5366689

SCHEMBL5366689

CC(C)(C)OC(=O)CC1(c2ccc([N+](=O)[O-])cc2)CCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 3/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPT P10636 5/20 0.43
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 2/20 0.42
HTR1E P28566 1/20 0.42
S1PR3 Q99500 1/20 0.42
NR1D1 P20393 1/20 0.41
HTT P42858 1/20 0.40
CYP2C9 P11712 1/20 0.39
HSD11B1 P28845 1/20 0.39
THRB P10828 1/20 0.38
NMBR P28336 2/20 0.38

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
SCHEMBL5366727 0.97 MAPT (0.43) CYP2C19LMNACYP1A2MEN1KMT2A
SCHEMBL5371530 0.95 MAPT (0.45) CYP2C19LMNACYP1A2MEN1KMT2A
SCHEMBL5370348 0.81 POLB (0.46) MEN1KMT2ATSHRALDH1A1HSD11B1
SCHEMBL14525409 0.80 HSD11B1 (0.40) MEN1KMT2AMAPTALDH1A1HSD11B1
SCHEMBL5363620 0.79 HSD11B1 (0.40) LMNAMEN1KMT2ATSHRMAPT
SCHEMBL5369331 0.79 POLB (0.43) CYP3A4ALDH1A1HSD11B1POLB
SCHEMBL3904346 0.77 MEN1 (0.58) CYP2C19LMNACYP1A2MEN1KMT2A
SCHEMBL17241166 0.77 MAPT (0.45) LMNACYP1A2KMT2ATSHRMAPT
SCHEMBL5363504 0.75 POLB (0.40) LMNACYP1A2CYP3A4ALDH1A1HSD11B1
SCHEMBL5645793 0.75 OPRM1 (0.37) ALDH1A1HSD11B1

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-7166616-B2 Substituted alkanoic acids AVENTIS PHARMA LIMITED (GB) 2007-01-23 US disclosed
US-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma AVENTIS PHARMA LIMITED (GB) 2004-01-08 US disclosed
EP-1330432-A2 SUBSTITUTED ALKANOIC ACIDS Aventis Pharma Limited (GB) 2003-07-30 EP disclosed
WO-2002036553-A2 SUBSTITUTED ALKANOIC ACIDS AVENTIS PHARMA LIMITED (GB) 2002-05-10 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-20040006056-A1 For therapy of disease states capable of being modulated by the inhibition of cell adhesion; therapy of asthma VCAM1, LTB4R, ITGA1 CYP2C19 965/4885LMNA 1237/4885CYP1A2 697/4885

“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.