SCHEMBL12049593

SCHEMBL12049593

Cc1cccc(C(C)(O)C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.45
PTPN5 P54829 1/20 0.44
HSD11B1 P28845 6/20 0.42
LMNA P02545 1/20 0.41
MEN1 O00255 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
NR3C1 P04150 1/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
KCNK3 O14649 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RAPGEF4 Q8WZA2 1/20 0.38

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
SCHEMBL29403735 0.87 ACHE (0.52) ACHEPTPN5LMNACNR1CNR2
SCHEMBL28716758 0.87 ACHE (0.52) ACHEPTPN5LMNACNR1CNR2
SCHEMBL17914398 0.82 ACHE (0.50) ACHEHSD11B1
SCHEMBL12274534 0.82 MEN1 (0.49) ACHEPTPN5LMNAMEN1KMT2A
SCHEMBL13965654 0.82 PTPN5 (0.46) PTPN5HSD11B1
SCHEMBL10165224 0.82 HSD11B1 (0.43) ACHEHSD11B1
SCHEMBL25093467 0.80 PTPN5 (0.44) ACHEPTPN5LMNAMEN1HTT
SCHEMBL19642633 0.80 PTPN5 (0.44) ACHEPTPN5LMNAMEN1HTT
SCHEMBL10165246 0.80 NR1H3 (0.44) HSD11B1MEN1KMT2A
SCHEMBL11947089 0.79 ACHE (0.46) ACHEPTPN5LMNAMEN1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11785845-B2 Composition FUJIFILM CORPORATION (JP) 2023-10-10 US disclosed
EP-3541810-B1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
EP-3464248-A1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES Bayer Pharma Aktiengesellschaft (DE) 2019-04-10 EP disclosed
WO-2018093579-A1 TRIAZOLE PHENYL COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed
WO-2017202816-A1 3-OXO-2,6-DIPHENYL-2,3-DIHYDROPYRIDAZINE-4-CARBOXAMIDES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-11-30 WO disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-8304508-B2 Fluorine-containing dicarboxylic acids and their novel polymer compounds CENTRAL GLASS COMPANY, LIMITED (JP) 2012-11-06 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110282026-A1 Fluorine-Containing Dicarboxylic Acids and Their Novel Polymer Compounds CENTRAL GLASS COMPANY, LIMITED (JP) 2011-11-17 US disclosed
US-7550254-B2 Fluorinated silsesquioxane polymers and use thereof in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-06-23 US disclosed
US-7550254-B2 Fluorinated silsesquioxane polymers and use thereof in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2009-06-23 US disclosed
US-20070202440-A1 Fluorinated silsesquioxane polymers and use thereof in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-08-30 US disclosed
US-20070202440-A1 Fluorinated silsesquioxane polymers and use thereof in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-08-30 US disclosed
US-7261992-B2 Fluorinated silsesquioxane polymers and use thereof in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-08-28 US disclosed
US-7261992-B2 Fluorinated silsesquioxane polymers and use thereof in lithographic photoresist compositions INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2007-08-28 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 (3 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-11785845-B2 Composition ADH1A, ADH1C, SLC19A2 ACHE 3777/4885PTPN5 4270/4885HSD11B1 119/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ACHE 568/4885PTPN5 941/4885HSD11B1 85/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A ACHE 568/4885PTPN5 941/4885HSD11B1 85/4885

“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.