SCHEMBL2456680

SCHEMBL2456680

C=CCC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
L3MBTL1 Q9Y468 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
CTBP2 P56545 1/20 0.42
EPHX2 P34913 1/20 0.42
PAM P19021 2/20 0.41
TSHR P16473 3/20 0.41
ABCC4 O15439 1/20 0.41

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
SCHEMBL14340616 0.84 TRPA1 (0.44) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL9515186 0.82 CA2 (0.52) MEN1KMT2AFNTAFNTBMAPK1
Allylbenzene SCHEMBL28252908 0.82 CYP1A2 (0.47) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL28008495 0.82 CES1 (0.68) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL1582412 0.81 CES1 (0.54) CES1CES2AKR1B1MEN1KMT2A
SCHEMBL9630131 0.80 TGM2 (0.47) MEN1KMT2AL3MBTL1MAPK1LMNA
SCHEMBL11345973 0.80 CES2 (0.40) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL4971734 0.80 KEAP1 (0.55) HDAC8HDAC6L3MBTL1TDP1ALDH1A1
SCHEMBL9339427 0.80 SMN1; SMN2 (0.43) ALDH1A1LMNAGAAMAPT
SCHEMBL77563 0.79 CES1 (0.70) CES1CES2AKR1B1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115724729-B 1-Aryl-alpha, beta-unsaturated ketone compound, synthesis method thereof and application thereof in preparation of root-knot nematode killing drugs 陕西省生物农业研究所 2024-05-17 CN claimed
US-20090032461-A1 METHOD FOR SEPARATING POLYMER SYSTEMS AND PORE-FREE POLYMER FILMS USED IN SAID METHOD PHILIPPS-UNIVERSITAT MARBURG (DE) 2009-02-05 US claimed
EP-1920043-A1 MOISTENED DISPOSABLE WIPE FOR CONTROLLING ALLERGENS The Procter and Gamble Company (US) 2008-05-14 EP claimed
WO-2007027904-A1 MOISTENED DISPOSABLE WIPE FOR CONTROLLING ALLERGENS THE PROCTER & GAMBLE COMPANY (US) 2007-03-08 WO claimed
US-20070037721-A1 Moistened disposable wipe for controlling allergens THE PROCTER & GAMBLE COMPANY (US) 2007-02-15 US claimed
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur TRANSMIT GESELLSCHAFT FUR TECHNOLOGIETRANSFER MBH (DE) 2005-10-27 US claimed
EP-1503990-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR Transmit Gesellschaft für Technologietransfer mbH (DE) 2005-02-09 EP claimed
WO-2003095429-A1 ACTIVE SUBSTANCES FOR THE TREATMENT, DIAGNOSIS AND PROPHYLAXIS OF DISEASES IN WHICH ABNORMAL PROTEIN STRUCTURES OCCUR TransMIT Gesellschaft für Technologietransfer mbH (DE) 2003-11-20 WO claimed
JP-59167530-A None JP disclosed
CN-115724729-B 1-Aryl-alpha, beta-unsaturated ketone compound, synthesis method thereof and application thereof in preparation of root-knot nematode killing drugs 陕西省生物农业研究所 2024-05-17 CN disclosed
CN-115724729-A 1-aryl-alpha, beta-unsaturated ketone compounds, synthesis method thereof and application thereof in preparation of root-knot nematode killing medicines 陕西省生物农业研究所 2023-03-03 CN disclosed
CN-109153653-B Novel compound, photocurable composition, cured product thereof, printing ink, and printed matter using the printing ink DIC株式会社 2022-06-28 CN disclosed
US-11079675-B2 Compound, photocurable composition, cured product of same, printing ink, and printed matter curing the printing ink DIC CORPORATION (JP) 2021-08-03 US disclosed
US-20190137872-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT OF SAME, PRINTING INK, AND PRINTED MATTER SURING THE PRINTING INK DIC CORPORATION (JP) 2019-05-09 US disclosed
EP-0924194-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
EP-0924193-A1 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-06-23 EP disclosed
US-5811293-A CULTURE PRODUCT AS CHEMICAL INTERMEDIATE FOR ANTI-OBESITY AGENT DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-09-22 US disclosed
US-5629200-A MICROORGANISM DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1997-05-13 US disclosed
EP-0654534-A2 Processes for producing optically active 2-amino-1-phenylethanol derivatives DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-05-24 EP disclosed
JP-S59167530-A PRODUCTION OF 1-PHENYL-2-ALKOXYALKENE UBE IND LTD 1984-09-21 JP 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-11079675-B2 Compound, photocurable composition, cured product of same, printing ink, and printed matter curing the printing ink EPB41, F12, CDK1 CES1 2811/4885CES2 1235/4885AKR1B1 2430/4885
US-20050239808-A1 Active substances for the treatment, diagnosis and prophylaxis of diseases in which abnormal protein structures occur PRNP, APP, MAPT CES1 3692/4885CES2 1761/4885AKR1B1 1937/4885
US-20190137872-A1 NOVEL COMPOUND, PHOTOCURABLE COMPOSITION, CURED PRODUCT OF SAME, PRINTING INK, AND PRINTED MATTER SURING THE PRINTING INK EPB41, CDK1, CDKN1A CES1 2260/4885CES2 769/4885AKR1B1 1925/4885

“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.