SCHEMBL722132

SCHEMBL722132

C=CCOC(=O)[C@@H](N)CCCCN.N=C=O.N=C=O

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GSR P00390 1/20 0.43
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
DPP7 Q9UHL4 12/20 0.33
DPP8 Q6V1X1 6/20 0.33
DPP9 Q86TI2 5/20 0.33
DPP4 P27487 4/20 0.33
TDP1 Q9NUW8 1/20 0.32
CPB2 Q96IY4 1/20 0.32
RNPEP Q9H4A4 1/20 0.32
TSHR P16473 1/20 0.31
MAPT P10636 1/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 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
SCHEMBL369325 0.92 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL369324 0.92 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL11667283 0.92 GSR (0.50) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL11554718 0.91 GSR (0.48) GSRGNAI3GNAO1GNAI1DPP7
Hydrochloric Acid SCHEMBL11554720 0.91 GSR (0.48) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5203652 0.87 GSR (0.42) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5203658 0.87 GSR (0.42) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL5203643 0.87 GSR (0.42) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL8822125 0.81 GSR (0.48) GSRGNAI3GNAO1GNAI1DPP7
SCHEMBL7950462 0.80 TDP1 (0.39) GSRDPP7TDP1TSHRMAPT

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 148 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1134246-B1 Polyisocyanate BASF SE (DE) 2012-09-26 EP claimed
EP-1794204-B1 WATER-DISPERSIBLE HIGHLY FUNCTIONAL POLYISOCYANATES BASF SE (DE) 2011-03-16 EP claimed
US-7339020-B2 High-functionality polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2008-03-04 US claimed
US-20070270543-A1 Water-Dispersible Highly Functional polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2007-11-22 US claimed
EP-1134247-B1 Highfunctionality polyisocyanates BASF AG (DE) 2007-09-12 EP claimed
EP-1054030-B1 Linear oligo- and polyurethanes having defined structure, their manufacture and uses BASF AG (DE) 2002-12-04 EP claimed
US-6465596-B1 Linear oligourethanes and polyurethanes having a defined structure, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 2002-10-15 US claimed
US-6416686-B2 Polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2002-07-09 US claimed
US-20020007036-A1 High-functionality polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2002-01-17 US claimed
US-20010025096-A1 Polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2001-09-27 US claimed
US-20010005738-A1 Building blocks containing isocyanate groups and their use for functionalizing or modifying compounds or surfaces BASF AKTIENGESELLSCHAFT (DE) 2001-06-28 US claimed
US-4404347-A Polyisocyanate cross-linked polymers containing cellulosic component NIPPON PAINT CO., LTD. (JP) 1983-09-13 US claimed
EP-3568016-B1 MICROCAPSULES COMPRISING CINMETHYLIN IN THE CORE AND A POLYUREA DERIVED FROM DIPHENYLMETHANE DIISOCYANATE OR AN OLIGOMER THEREOF BASF AGRO BV (NL) 2024-07-17 EP disclosed
US-20240110015-A1 SUPRAMOLECULAR BIOMEDICAL POLYMERS SUPRAPOLIX B.V. (NL) 2024-04-04 US disclosed
US-11884781-B2 Supramolecular biomedical polymers SUPRAPOLIX B.V. (NL) 2024-01-30 US disclosed
EP-3713990-B1 SUPRAMOLECULAR BIOMEDICAL POLYMERS SUPRAPOLIX BV (NL) 2023-08-02 EP disclosed
US-20010025096-A1 Polyisocyanates BASF AKTIENGESELLSCHAFT (DE) 2001-09-27 US disclosed
US-20010005738-A1 Building blocks containing isocyanate groups and their use for functionalizing or modifying compounds or surfaces BASF AKTIENGESELLSCHAFT (DE) 2001-06-28 US disclosed
US-4404347-A Polyisocyanate cross-linked polymers containing cellulosic component NIPPON PAINT CO., LTD. (JP) 1983-09-13 US disclosed
US-4401801-A Coating and dressing agents for leather and leather substitutes based on polyurethane urea coating compounds BAYER AKTIENGESELLSCHAFT (DE) 1983-08-30 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 (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-20020007036-A1 High-functionality polyisocyanates PCBP1, C9, CYP1B1 GSR 1520/4885GNAI3 1365/4885GNAO1 2468/4885

“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.