SCHEMBL3689082

SCHEMBL3689082

C=C(COCCO)C(=O)OC

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
TSHR P16473 3/20 0.36
MAPK1 P28482 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
THRB P10828 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
SCHEMBL7616212 0.96 MEN1 (0.42) ALDH1A1TSHRMAPK1MEN1KMT2A
SCHEMBL824134 0.85 ALDH1A1 (0.41) ALDH1A1TSHRTHRB
SCHEMBL353002 0.84 ALDH1A1 (0.48) ALDH1A1TSHRTHRB
SCHEMBL1831709 0.80 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1KMT2ATHRB
SCHEMBL28007316 0.80 CES2 (0.46) ALDH1A1TSHR
SCHEMBL14294549 0.79 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL351841 0.78 ALDH1A1 (0.42) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL14269234 0.77 TDP1 (0.39) ALDH1A1TSHRMEN1KMT2ATHRB
SCHEMBL16352654 0.77 TSHR (0.42) ALDH1A1TSHRMEN1KMT2A
SCHEMBL1831359 0.77 THRB (0.42) ALDH1A1TSHRMAPK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9241216-A None JP disclosed
US-7794751-B2 Medicament incorporation matrix SURMODICS, INC. (US) 2010-09-14 US disclosed
US-20060165751-A1 Medicament incorporation matrix Surmodics Coatings, LLC 2006-07-27 US disclosed
US-7056533-B2 Medicament incorporation matrix SURMODICS, INC. (US) 2006-06-06 US disclosed
EP-1309360-B1 MEDICAMENT INCORPORATION MATRIX SURMODICS INC (US) 2006-04-19 EP disclosed
EP-1309360-A2 MEDICAMENT INCORPORATION MATRIX SurModics, Inc. (US) 2003-05-14 EP disclosed
EP-0738703-B1 Acrylic acid derivatives, method for preparing the acrylic acid derivatives, and acrylic acid polymers NIPPON CATALYTIC CHEM IND (JP) 2002-05-22 EP disclosed
US-20020041899-A1 Medicament incorporation matrix Surmodics Coatings, LLC 2002-04-11 US disclosed
WO-2002013871-A2 MEDICAMENT INCORPORATION MATRIX SURMODICS, INC. (US) 2002-02-21 WO disclosed
US-5834576-A CROSSLINKING USING AN ACRYLIC ESTER CONTAINING ETHER GROUPS NIPPON SHOKUBAI CO., LTD. (JP) 1998-11-10 US disclosed
JP-H09241216-A PURIFICATION OF ACRYLIC ESTER DERIVATIVE NIPPON SHOKUBAI CO LTD 1997-09-16 JP disclosed
EP-0738703-A2 Acrylic acid derivatives, method for preparing the acrylic acid derivatives, and acrylic acid polymers NIPPON SHOKUBAI CO., LTD. (JP) 1996-10-23 EP 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-20020041899-A1 Medicament incorporation matrix COL14A1, MATR3, ECPAS ALDH1A1 1028/4885TSHR 4616/4885MAPK1 3001/4885

“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.