SCHEMBL809499

SCHEMBL809499

CC(C)C/C=C1\CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
RAB9A P51151 2/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
AKR1C3 P42330 1/20 0.35
AKR1C1 Q04828 1/20 0.35
EGFR P00533 1/20 0.33
PRKCA P17252 3/20 0.32
USP2 O75604 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL812831 1.00 MAPT (0.38) MAPTRAB9APOLBALDH1A1HTT
SCHEMBL6903647 0.82 ALDH1A1 (0.34) MAPTRAB9AALDH1A1HTTNPC1
SCHEMBL6903651 0.82 ALDH1A1 (0.34) MAPTRAB9AALDH1A1HTTNPC1
SCHEMBL6902539 0.80 ALDH1A1 (0.35) MAPTRAB9AALDH1A1HTTNPC1
SCHEMBL6902534 0.80 ALDH1A1 (0.35) MAPTRAB9AALDH1A1HTTNPC1
SCHEMBL6895014 0.80 ALDH1A1 (0.33) MAPTRAB9AALDH1A1HTTNPC1
SCHEMBL6895010 0.80 ALDH1A1 (0.33) MAPTRAB9AALDH1A1HTTNPC1
SCHEMBL6330248 0.78 MAPT (0.53) MAPTRAB9APOLBALDH1A1NPC1
SCHEMBL6904095 0.77 ALDH1A1 (0.33) MAPTRAB9AALDH1A1HTTNPC1
SCHEMBL6904093 0.77 ALDH1A1 (0.33) MAPTRAB9AALDH1A1HTTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3109309-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2022-06-08 EP disclosed
EP-3109309-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2022-06-08 EP disclosed
EP-3109308-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2022-06-01 EP disclosed
EP-3109308-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2022-06-01 EP disclosed
EP-3109307-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2021-03-31 EP disclosed
EP-3109307-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2021-03-31 EP disclosed
EP-3101112-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-04-03 EP disclosed
EP-3101112-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2019-04-03 EP disclosed
US-10144903-B2 Perfume systems THE PROCTER & GAMBLE COMPANY (US) 2018-12-04 US disclosed
EP-2804939-B1 PERFUME SYSTEMS PROCTER & GAMBLE (US) 2018-04-04 EP disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-7968734-B2 Organocatalysts and methods of use in chemical synthesis STC.UNM (US) 2011-06-28 US disclosed
US-20110060054-A1 2-METHYLENE-5-SUBSTITUTED-METHYLENECYCLOPENTANONE DERIVATIVES AND USE THEREOF SHENYANG PHARMACEUTICAL UNIVERSITY (CN) 2011-03-10 US disclosed
EP-2248796-A1 2-METHYLENE-5-SUBSTITUTED METHYLENE CYCLOPENTANONE DERIVATIVES AND USE THEREOF Shenyand Pharmaceutical University (CN) 2010-11-10 EP disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis STC.UNM (US) 2007-10-18 US disclosed
US-6833481-B2 Catalytic dehydrative isomerization TAKASAGO INTERNATIONAL CORPORATION (JP) 2004-12-21 US disclosed
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones TAKASAGO INTERNATIONAL CORPORATION 2003-06-12 US disclosed
EP-1316541-A1 Process for producing 2-alkyl-2-cyclopentenones Takasago International Corporation (JP) 2003-06-04 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-20070244328-A1 Organocatalysts and Methods of Use in Chemical Synthesis SCO2, CBR1, CBR3 MAPT 4442/4885RAB9A 1447/4885POLB 2441/4885
US-20030109755-A1 Process for producing 2-alkyl-2cyclopentenones HSD3B2, DHPS, HSD3B1 MAPT 4641/4885RAB9A 995/4885POLB 2212/4885
US-20110060054-A1 2-METHYLENE-5-SUBSTITUTED-METHYLENECYCLOPENTANONE DERIVATIVES AND USE THEREOF BRCA1, KLK3, DPYD MAPT 4670/4885RAB9A 4424/4885POLB 2267/4885
US-10144903-B2 Perfume systems PFAS, PORCN, PLIN5 MAPT 1183/4885RAB9A 4221/4885POLB 714/4885

“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.