SCHEMBL4459325

SCHEMBL4459325

NCC1(C(=O)O)C=CC(c2ccccc2)C=C1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.36
HTR2B P41595 5/20 0.36
HTR2A P28223 4/20 0.36
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.33
SLC6A4 P31645 1/20 0.32
KDM1A O60341 2/20 0.32
AKR1C3 P42330 1/20 0.32
AKR1C1 Q04828 1/20 0.32
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC4 P56524 1/20 0.31
MAOB P27338 1/20 0.31
EDNRA P25101 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL2157188 0.83 CYP3A4 (0.36) ALDH1A1CYP3A4KDM1AMEN1MAPT
SCHEMBL7510595 0.80 KDM1A (0.38) ALDH1A1CYP3A4KDM1AMEN1MAPT
SCHEMBL21043746 0.79 MAPT (0.40) ALDH1A1CYP3A4KDM1AMEN1MAPT
SCHEMBL2121106 0.77 KDM1A (0.34) ALDH1A1KDM1AHDAC4MAOBEDNRA
SCHEMBL316145 0.76 EDNRA (0.35) ALDH1A1CYP3A4AKR1C3AKR1C1HDAC4
SCHEMBL9746013 0.75 PPARG (0.39)
SCHEMBL10440676 0.75 PPARG (0.39)
SCHEMBL4181876 0.75 PPARG (0.39)
SCHEMBL4184927 0.75 PPARG (0.39)
SCHEMBL11211134 0.75 TDP1 (0.36) CYP3A4MEN1MAPTKMT2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778299-A4 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2009-08-26 EP claimed
EP-1778299-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-05-02 EP claimed
WO-2006096207-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2006-09-14 WO claimed
US-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same BRACCO SUISSE SA (CH) 2005-07-07 US claimed
EP-1778299-A4 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INT BV (NL) 2009-08-26 EP disclosed
EP-1778299-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2007-05-02 EP disclosed
WO-2006096207-A2 METHODS FOR PREPARING MULTIVALENT CONSTRUCTS FOR THERAPEUTIC AND DIAGNOSTIC APPLICATIONS BRACCO INTERNATIONAL B.V. (NL) 2006-09-14 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-20050147555-A1 Methods for preparing multivalent constructs for therapeutic and diagnostic applications and methods of preparing the same LDHB, FPGS, MTHFD2 HTR2C 4270/4885HTR2B 2762/4885HTR2A 4073/4885

“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.