SCHEMBL5556511

SCHEMBL5556511

COC(=O)C(Br)CCC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZDHHC7 Q9NXF8 1/20 0.55
GABRP O00591 2/20 0.41
GABRD O14764 2/20 0.41
GABRA1 P14867 2/20 0.41
GABRB1 P18505 2/20 0.41
GABRG2 P18507 2/20 0.41
GABRB3 P28472 2/20 0.41
GABRA5 P31644 2/20 0.41
GABRA3 P34903 2/20 0.41
GABRA2 P47869 2/20 0.41
GABRB2 P47870 2/20 0.41
GABRA4 P48169 2/20 0.41
GABRE P78334 2/20 0.41
GABRA6 Q16445 2/20 0.41
GABRG1 Q8N1C3 2/20 0.41
GABRG3 Q99928 2/20 0.41
GABRQ Q9UN88 2/20 0.41
CYP1A2 P05177 2/20 0.41
TSHR P16473 1/20 0.40
ANPEP P15144 1/20 0.39

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
SCHEMBL30081400 1.00 ZDHHC7 (0.55) ZDHHC7GABRPGABRDGABRA1GABRB1
SCHEMBL30081398 1.00 ZDHHC7 (0.55) ZDHHC7GABRPGABRDGABRA1GABRB1
SCHEMBL28812350 0.84 ZDHHC7 (0.68) ZDHHC7TSHR
SCHEMBL5965786 0.84 ZDHHC7 (0.65) ZDHHC7TSHRCA1CA2SMN1; SMN2
SCHEMBL1415237 0.84 ZDHHC7 (0.65) ZDHHC7TSHRCA1CA2SMN1; SMN2
SCHEMBL9620422 0.83 ZDHHC7 (0.43) ZDHHC7GABRPGABRDGABRA1GABRB1
SCHEMBL12358675 0.83 ZDHHC7 (0.55) ZDHHC7TSHRSLC1A1CA1CA2
SCHEMBL29589922 0.83 ZDHHC7 (0.55) ZDHHC7TSHRSLC1A1CA1CA2
SCHEMBL26139447 0.83 ZDHHC7 (0.55) ZDHHC7TSHRCA1CA2SMN1; SMN2
SCHEMBL868172 0.83 ZDHHC7 (0.55) ZDHHC7TSHRSLC1A1CA1CA2

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
CN-114206300-A Preventing and reducing keratinization disorder and related cosmetic 默克专利股份有限公司 2022-03-18 CN disclosed
EP-3770160-A1 GADOLINIUM BEARING PCTA-BASED CONTRAST AGENTS Bracco Imaging SPA (IT) 2021-01-27 EP disclosed
EP-3687994-B1 GADOLINIUM BEARING PCTA-BASED CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2020-11-04 EP disclosed
WO-2020030618-A1 GADOLINIUM BEARING PCTA-BASED CONTRAST AGENTS BRACCO IMAGING SPA (IT) 2020-02-13 WO disclosed
US-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates GUERBET (FR) 2007-05-03 US disclosed
US-20060239926-A1 Specific high-relaxivity compounds GUERBET (FR) 2006-10-26 US disclosed
EP-1635877-A2 SPECIFIC HIGH-RELAXIVITY CONJUGATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2006-03-22 EP disclosed
WO-2004112839-A2 SPECIFIC HIGH-RELAXIVITY CONJUGATE COMPOUNDS FOR MAGNETIC RESONANCE IMAGING GUERBET (FR) 2004-12-29 WO disclosed
US-6187285-B1 IN PARTICULAR MAGNETIC RESONANCE IMAGING (MRI) FOR MAGNETIC CATIONS. GUERBET (FR) 2001-02-13 US 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 (2 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-20070098643-A1 Oligomers of gadolinium chelates, their applicationascontrast products in magnetic resonance imaging and their synthesis intermediates MGAT2, MGAT1, MGAT3 ZDHHC7 1024/4885GABRP 1933/4885GABRD 3136/4885
US-20060239926-A1 Specific high-relaxivity compounds TNNC1, TNNT2, TNNI3 ZDHHC7 3937/4885GABRP 4375/4885GABRD 3905/4885

“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.