SCHEMBL9330897

SCHEMBL9330897

O=C(O)/C=C\Sc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
LMNA P02545 6/20 0.68
MAPT P10636 6/20 0.68
NPSR1 Q6W5P4 4/20 0.68
PLIN1 O60240 2/20 0.68
PLIN5 Q00G26 2/20 0.68
ABHD5 Q8WTS1 2/20 0.68
HPGD P15428 2/20 0.68
HTT P42858 1/20 0.68
NFKB1 P19838 2/20 0.53
MEN1 O00255 1/20 0.53
NFKB2 Q00653 1/20 0.53
KMT2A Q03164 1/20 0.53
RELA Q04206 1/20 0.53
HCAR2 Q8TDS4 2/20 0.46
HDAC3 O15379 1/20 0.46
TNKS O95271 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46

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
SCHEMBL600478 1.00 ALDH1A1 (0.68) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL600479 1.00 ALDH1A1 (0.68) ALDH1A1LMNAMAPTNPSR1PLIN1
Water SCHEMBL9776234 0.98 ALDH1A1 (0.66) ALDH1A1LMNAMAPTNPSR1PLIN1
Water SCHEMBL9776229 0.98 ALDH1A1 (0.66) ALDH1A1LMNAMAPTNPSR1PLIN1
Acetic Acid SCHEMBL28747365 0.94 ALDH1A1 (0.61) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL7516062 0.83 ALDH1A1 (0.63) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL7516071 0.83 ALDH1A1 (0.63) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL4645504 0.83 ALDH1A1 (0.63) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL13080235 0.83 ALDH1A1 (0.63) ALDH1A1LMNAMAPTNPSR1PLIN1
SCHEMBL9847361 0.81 ALDH1A1 (0.61) ALDH1A1LMNAMAPTNPSR1PLIN1

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
US-9265768-B2 Derivatives of 1-phenyl-2-pyridinyl alkyl alcohols as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2016-02-23 US disclosed
EP-2760838-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2014-08-06 EP disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2014-05-22 US disclosed
WO-2013045280-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-04 WO disclosed
WO-2013045280-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-04 WO disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-03-28 US disclosed
US-20080261923-A1 Alkene Mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 US disclosed
US-20080261923-A1 Alkene Mimics NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-10-23 US disclosed
US-20070027067-A1 Transition-state Inhibitors of Pin1, alpha-Ketoamide-containing peptidomimetics, and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
US-20070027067-A1 Transition-state Inhibitors of Pin1, alpha-Ketoamide-containing peptidomimetics, and synthesis thereof NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2007-02-01 US disclosed
EP-0408107-B1 Novel acrylic acid salts, a process for their preparation, pharmaceutical compositions containing them and their use in the medicine RICHTER GEDEON VEGYESZET (HU) 1994-04-13 EP disclosed
EP-0408106-B1 Novel acrylic amide derivatives, a process for their preparation, pharmaceutical compositions containing the same and their use in medicine RICHTER GEDEON VEGYESZET (HU) 1994-04-06 EP disclosed
US-5214045-A Acrylamides having amide substituted by residues of glycine, alanine, aspartic acid, methionine, proline or thiazolidinecarboxylic acid and acrylic group substituted by phenylthio-, phenylsulfinyl- or phenylsulfonyl-groups RICHTER GEDEON VEGYESZETI GYAR RT (HU) 1993-05-25 US disclosed
US-5021597-A Cytoprotective agents, antiulcer, antisecretory agents RICHTER GEDEON VEGYESZETI GYAR RT. (HU) 1991-06-04 US disclosed
EP-0408107-A2 Novel acrylic acid salts, a process for their preparation, pharmaceutical compositions containing them and their use in the medicine RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-01-16 EP disclosed
EP-0408108-A2 Pharmaceutical compositions containing acrylic acid derivatives and their use in the medicine RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-01-16 EP disclosed
EP-0408106-A2 Novel acrylic amide derivatives, a process for their preparation, pharmaceutical compositions containing the same and their use in medicine RICHTER GEDEON VEGYESZETI GYAR R.T. (HU) 1991-01-16 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 (4 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-20070027067-A1 Transition-state Inhibitors of Pin1, alpha-Ketoamide-containing peptidomimetics, and synthesis thereof PIN1, PREP, PIN4 ALDH1A1 4636/4885LMNA 2765/4885MAPT 74/4885
US-20130079313-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A ALDH1A1 59/4885LMNA 1562/4885MAPT 3250/4885
US-20080261923-A1 Alkene Mimics PHOSPHO1, PARN, CHAMP1 ALDH1A1 4597/4885LMNA 1092/4885MAPT 2587/4885
US-20140142074-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE3A ALDH1A1 59/4885LMNA 1562/4885MAPT 3250/4885

“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.