SCHEMBL3836004

SCHEMBL3836004

C=CCN(CC=C)CC(O)CN(CC=C)CC=C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 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
SCHEMBL9718366 0.87 CYP3A4 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2484810 0.87 ALDH1A1 (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15827375 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2139882 0.85 ALDH1A1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4155298 0.84 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5141135 0.84 KDM4E (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL1627565 0.84 ALDH1A1 (0.42) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL14888984 0.83 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL10611848 0.83 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL4974269 0.82 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0873187-B1 WATER-SWELLING POLYMERS CROSS-LINKED WITH UNSATURATED AMINO ALCOHOLS, THE PRODUCTION AND USE OF SAME STOCKHAUSEN CHEM FAB GMBH (DE) 2001-06-20 EP claimed
US-6087450-A GRAFT POLYMERS WITH CROSSLINKING STOCKHAUSEN GMBH & CO., KG (DE) 2000-07-11 US claimed
EP-2797972-B1 PROCESS FOR SUPERABSORBENT POLYMER AND CROSSLINKER COMPOSITION EVONIK CORP (US) 2016-09-21 EP disclosed
US-9440220-B2 Superabsorbent polymer with crosslinker EVONIK CORPORATION (US) 2016-09-13 US disclosed
US-20150093575-A1 SUPERABSORBENT POLYMER WITH CROSSLINKER EVONIK CORPORATION (US) 2015-04-02 US disclosed
US-20130172180-A1 PROCESS FOR SUPERABSORBENT POLYMER AND CROSSLINKER COMPOSITION EVONIK STOCKHAUSEN, LLC (US) 2013-07-04 US disclosed
US-8476189-B1 Process for superabsorbent polymer and crosslinker composition EVONIK STOCKHAUSEN LLC (US) 2013-07-02 US disclosed
US-8420567-B1 Process for superabsorbent polymer and crosslinker composition EVONIK STOCKHAUSEN, LLC (US) 2013-04-16 US disclosed
EP-1237863-B1 N-SUBSTITUTED PERFLUOROALKYLATED PYRROLIDINES, PROCESS FOR MAKING THEM AND PROCESS FOR THE ADDITION OF RF-IODIDE TO AN OLEFIN BASF SE (DE) 2009-09-23 EP disclosed
EP-1237863-A1 N-SUBSTITUTED PERFLUOROALKYLATED PYRROLIDINES, PROCESS FOR MAKING THEM AND PROCESS FOR THE ADDITION OF RF-IODIDE TO AN OLEFIN Ciba SC Holding AG (CH) 2002-09-11 EP disclosed
US-6436235-B1 PREPARED FROM DIALLYLAMINE, PERFLUOROALKYL IODIDE AND AMINO REACTIVE COMPOUND SELECTED FROM CARBOXYLIC ACIDS, ANHYDRIDES, ACID CHLORIDES, OXIRANES, HALOALKANES, ISOCYANATES, UREAS AND METHACRYLICS; SURFACTANTS, OIL PROOFING PAPER AND TEXTILES CIBA SPECIALTY CHEMICALS CORPORATION 2002-08-20 US disclosed
EP-0873187-B1 WATER-SWELLING POLYMERS CROSS-LINKED WITH UNSATURATED AMINO ALCOHOLS, THE PRODUCTION AND USE OF SAME STOCKHAUSEN CHEM FAB GMBH (DE) 2001-06-20 EP disclosed
WO-2001028998-A1 N-SUBSTITUTED PERFLUOROALKYLATED PYRROLIDINES, PROCESS FOR MAKING THEM AND PROCESS FOR THE ADDITION OF RF-IODIDE TO AN OLEFIN CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2001-04-26 WO disclosed
US-6087450-A GRAFT POLYMERS WITH CROSSLINKING STOCKHAUSEN GMBH & CO., KG (DE) 2000-07-11 US disclosed
EP-0873187-A1 WATER-SWELLING POLYMERS CROSS-LINKED WITH UNSATURATED AMINO ALCOHOLS, THE PRODUCTION AND USE OF SAME STOCKHAUSEN GmbH & CO. KG (DE) 1998-10-28 EP disclosed
WO-1997018889-A1 WATER-SWELLING POLYMERS CROSS-LINKED WITH UNSATURATED AMINO ALCOHOLS, THE PRODUCTION AND USE OF SAME STOCKHAUSEN GMBH & CO. KG (DE) 1997-05-29 WO disclosed
EP-0214850-A2 Method for the control of algae in aqueous systems BUCKMAN LABORATORIES INTERNATIONAL, INC. (US) 1987-03-18 EP disclosed
EP-0053733-B1 POLYQUATERNARY FLOCCULANTS AMERICAN CYANAMID COMPANY (US) 1985-05-22 EP disclosed
EP-0053733-A1 Polyquaternary flocculants AMERICAN CYANAMID COMPANY (US) 1982-06-16 EP disclosed
US-4319020-A Polyquaternary flocculants AMERICAN CYANAMID COMPANY (US) 1982-03-09 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-20130172180-A1 PROCESS FOR SUPERABSORBENT POLYMER AND CROSSLINKER COMPOSITION GNE, SI, ERGIC1 ALDH1A1 1577/4885CYP1A2 2533/4885CYP3A4 2241/4885

“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.