SCHEMBL4415425

SCHEMBL4415425

C=CCCCCCC[Mg]Br

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
ABCC4 O15439 1/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 4/20 0.38
TRPA1 O75762 3/20 0.37
LPAR3 Q9UBY5 2/20 0.34
LMNA P02545 2/20 0.34
LPAR2 Q9HBW0 1/20 0.34
TDP1 Q9NUW8 2/20 0.31
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL8509889 1.00 TSHR (0.46) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL2566885 1.00
SCHEMBL2535243 1.00 TSHR (0.46) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL937633 0.97
SCHEMBL232494 0.89
SCHEMBL15272648 0.78 TSHR (0.50) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL7525 0.77
SCHEMBL18187344 0.76 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL18187333 0.76 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1
SCHEMBL2850911 0.76 TSHR (0.69) TSHRABCC4MAPTALDH1A1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113683837-A Impact-resistant co-polypropylene and preparation method thereof 中国石油天然气股份有限公司 2021-11-23 CN disclosed
EP-1691845-A4 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL MYERS SQUIBB PHARMA CO (US) 2009-02-25 EP disclosed
EP-1691845-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE Bristol-Myers Squibb Pharma Company (US) 2006-08-23 EP disclosed
US-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use LANTHEUS MEDICAL IMAGING, INC. 2005-05-19 US disclosed
WO-2005023314-A1 COMPOUNDS CONTAINING MATRIX METALLOPROTEINASE SUBSTRATES AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2005-03-17 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-20050106100-A1 Compounds containing matrix metalloproteinase substrates and methods of their use MMP1, MMP10, MMP8 TSHR 4185/4885ABCC4 4088/4885MAPT 2533/4885

“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.