SCHEMBL238740

SCHEMBL238740

CC(=O)/C=C(/C)[O-].C[N+](C)(C)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.55
TDP1 Q9NUW8 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALPL P05186 1/20 0.44
POLB P06746 1/20 0.44
ALPG P10696 1/20 0.44
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
CYP2C9 P11712 3/20 0.37
HPGD P15428 1/20 0.37
LMNA P02545 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNA4 P43681 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35

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
Acetic Acid SCHEMBL593316 0.86 ALDH1A1 (0.68) ALDH1A1TDP1KDM4EALPLPOLB
SCHEMBL238477 0.84 CYP2D6 (0.43) ALDH1A1TDP1KDM4EALPLPOLB
Bicarbonate SCHEMBL988121 0.84 ALDH1A1 (0.71) ALDH1A1TDP1KDM4EALPLPOLB
Bicarbonate SCHEMBL988119 0.84 ALDH1A1 (0.71) ALDH1A1TDP1KDM4EALPLPOLB
Bicarbonate SCHEMBL2774106 0.82 ALDH1A1 (0.68) ALDH1A1TDP1KDM4EALPLPOLB
Oxalic Acid SCHEMBL153608 0.82 ALDH1A1 (0.68) ALDH1A1TDP1KDM4EALPLPOLB
Acetic Acid SCHEMBL27705675 0.82 ALDH1A1 (0.74) ALDH1A1TDP1KDM4EALPLPOLB
Fumaric Acid SCHEMBL5675660 0.81 ALDH1A1 (0.61) ALDH1A1TDP1KDM4EALPLPOLB
Fumaric Acid SCHEMBL5179084 0.81 ALDH1A1 (0.61) ALDH1A1TDP1KDM4EALPLPOLB
Fumaric Acid SCHEMBL5875223 0.81 ALDH1A1 (0.61) ALDH1A1TDP1KDM4EALPLPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108148394-B Storage-stable one-component polyurethane prepregs from polyurethane compositions and moldings produced therefrom 赢创运营有限公司 2021-12-28 CN claimed
EP-3330311-B1 STORAGE STABLE 1K-POLYURETHANE-PREPREGS AND MOULDED ARTICLE MADE FROM SAME ON THE BASIS OF A POLYURETHANE COMPOSITION EVONIK OPERATIONS GMBH (DE) 2021-05-05 EP claimed
US-10633519-B2 Storage-stable polyurethane prepregs and mouldings produced therefrom composed of a polyurethane composition with liquid resin components EVONIK OPERATIONS GMBH (DE) 2020-04-28 US claimed
US-10626236-B2 Storage-stable one-component polyurethane prepregs and shaped bodies composed of polyurethane composition that have been produced therefrom EVONIK OPERATIONS GMBH (DE) 2020-04-21 US claimed
US-20180155515-A1 STORAGE-STABLE ONE-COMPONENT POLYURETHANE PREPREGS AND SHAPED BODIES COMPOSED OF POLYURETHANE COMPOSITION THAT HAVE BEEN PRODUCED THEREFROM EVONIK OPERATIONS GMBH (DE) 2018-06-07 US claimed
EP-2411439-B1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2016-11-16 EP claimed
US-8829146-B2 High-reactivity, uretdione-containing polyurethane compositions which comprise metal-free acetylacetonates EVONIK DEGUSSA GMBH (DE) 2014-09-09 US claimed
US-20140087613-A1 STORAGE-STABLE POLYURETHANE PREPREGS AND MOULDINGS PRODUCED THEREFROM COMPOSED OF A POLYURETHANE COMPOSITION WITH LIQUID RESIN COMPONENTS EVONIK DEGUSSA GMBH (DE) 2014-03-27 US claimed
US-8455090-B2 Prepegs and molded bodies produced thereof at low temperature EVONIK DEGUSSA GMBH (DE) 2013-06-04 US claimed
EP-2291424-B1 HIGH-REACTIVITY, URETDIONE-CONTAINING POLYURETHANE COMPOSITIONS WHICH COMPRISE METAL-FREE ACETYLACETONATES EVONIK DEGUSSA GMBH (DE) 2012-02-22 EP claimed
US-20120003890-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2012-01-05 US claimed
US-20110039030-A1 HIGH-REACTIVITY POLYURETHANE COMPOSITIONS CONTAINING URETDIONE GROUPS AND METAL-FREE ACETYLACETONATES EVONIK DEGUSSA GMBH 2011-02-17 US claimed
CN-108148394-B Storage-stable one-component polyurethane prepregs from polyurethane compositions and moldings produced therefrom 赢创运营有限公司 2021-12-28 CN disclosed
US-10633519-B2 Storage-stable polyurethane prepregs and mouldings produced therefrom composed of a polyurethane composition with liquid resin components EVONIK OPERATIONS GMBH (DE) 2020-04-28 US disclosed
US-10626236-B2 Storage-stable one-component polyurethane prepregs and shaped bodies composed of polyurethane composition that have been produced therefrom EVONIK OPERATIONS GMBH (DE) 2020-04-21 US disclosed
US-10336856-B2 Alkoxysilane- and allophanate-functionalized coating materials EVONIK DEGUSSA GMBH (DE) 2019-07-02 US disclosed
US-20130078417-A1 SEMIFINISHED PRODUCT FOR THE PRODUCTION OF FIBRE COMPOSITE COMPONENTS BASED ON STABLE POLYURETHANE COMPOSITIONS EVONIK DEGUSSA GMBH (DE) 2013-03-28 US disclosed
US-20130045652-A1 METHOD FOR PRODUCING STORAGE-STABLE POLYURETHANE PREPREGS AND MOLDINGS PRODUCED THEREFROM EVONIK DEGUSSA GMBH (DE) 2013-02-21 US disclosed
US-20120003890-A1 PREPEGS AND MOLDED BODIES PRODUCED THEREOF AT LOW TEMPERATURE EVONIK DEGUSSA GMBH (DE) 2012-01-05 US disclosed
US-20110039030-A1 HIGH-REACTIVITY POLYURETHANE COMPOSITIONS CONTAINING URETDIONE GROUPS AND METAL-FREE ACETYLACETONATES EVONIK DEGUSSA GMBH 2011-02-17 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-10336856-B2 Alkoxysilane- and allophanate-functionalized coating materials DDAH1, OR10J3, AP3S1 ALDH1A1 457/4885TDP1 537/4885KDM4E 3562/4885

“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.