SCHEMBL1422917

SCHEMBL1422917

C=CCOc1ccc(C=O)cc1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.57
AOX1 Q06278 1/20 0.57
HPGD P15428 2/20 0.49
TRIM24 O15164 1/20 0.49
ALDH5A1 P51649 1/20 0.49
ABAT P80404 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TRIM33 Q9UPN9 1/20 0.49
KDM4E B2RXH2 3/20 0.48
PTGS2 P35354 1/20 0.48
RAB9A P51151 1/20 0.48
TTR P02766 2/20 0.48
TSHR P16473 2/20 0.44
GAA P10253 1/20 0.44
APP P05067 2/20 0.43
FDPS P14324 1/20 0.42
ESR1 P03372 1/20 0.42
ESR2 Q92731 1/20 0.42
SLC5A1 P13866 1/20 0.42
SLC5A2 P31639 1/20 0.42

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
SCHEMBL11721524 0.88 ALDH1A1 (0.68) ALDH1A1AOX1HPGDTRIM24ALDH5A1
SCHEMBL3464451 0.84 FDPS (0.54) ALDH1A1HPGDTRIM24ALDH5A1ABAT
Isovanillin SCHEMBL28418805 0.81 ALDH1A1 (0.73) ALDH1A1AOX1HPGDTRIM24ALDH5A1
SCHEMBL27804316 0.80 FDPS (0.42) ALDH1A1AOX1HPGDTRIM24ALDH5A1
SCHEMBL944430 0.80 ALDH1A1 (0.48) ALDH1A1HPGDRAB9ATTRTSHR
SCHEMBL31247739 0.80 FDPS (0.42) ALDH1A1AOX1HPGDTRIM24ALDH5A1
SCHEMBL4617044 0.80 TSHR (0.44) ALDH1A1HPGDKDM4ERAB9ATSHR
SCHEMBL18095839 0.80 ALDH1A1 (0.49) ALDH1A1AOX1HPGDKDM4ETSHR
SCHEMBL15853568 0.79 ALDH1A1 (0.61) ALDH1A1AOX1HPGDTRIM24ALDH5A1
SCHEMBL16472557 0.79 ALDH1A1 (0.61) ALDH1A1AOX1HPGDTRIM24ALDH5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117653618-A Novel benzalacetone derivative and use thereof 韩药有限公司 2024-03-08 CN disclosed
CN-110996930-B Novel benzalacetone derivative and use thereof 韩药有限公司 2024-02-02 CN disclosed
US-11629121-B2 Benzylideneacetone derivative and use thereof KORPHARM CO., LTD. (KR) 2023-04-18 US disclosed
US-20210139414-A1 NOVEL BENZYLIDENEACETONE DERIVATIVE AND USE THEREOF KORPHARM CO., LTD. (KR) 2021-05-13 US disclosed
US-20210139414-A1 NOVEL BENZYLIDENEACETONE DERIVATIVE AND USE THEREOF KORPHARM CO., LTD. (KR) 2021-05-13 US disclosed
EP-3659592-A1 NOVEL BENZYLIDENEACETONE DERIVATIVE AND USE THEREOF Korpharm Co., Ltd. (KR) 2020-06-03 EP disclosed
CN-110996930-A Novel benzylidene acetone derivative and use thereof 韩药有限公司 2020-04-10 CN disclosed
EP-2225205-B1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2013-01-02 EP disclosed
US-7968724-B2 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2011-06-28 US disclosed
US-20110098323-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2011-04-28 US disclosed
EP-2296476-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION Microbiotix, Inc. (US) 2011-03-23 EP disclosed
WO-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed
WO-2010118968-A1 NO-DONOR ASPIRIN DERIVATIVES NICOX S.A. (FR) 2010-10-21 WO disclosed
EP-2225205-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.p.A. (IT) 2010-09-08 EP disclosed
WO-2009142720-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2009-11-26 WO disclosed
WO-2009142720-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION MICROBIOTIX, INC. (US) 2009-11-26 WO disclosed
WO-2009077068-A9 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMA SPA (IT) 2009-08-20 WO disclosed
US-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-07-02 US disclosed
WO-2009077068-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2009-06-25 WO disclosed
EP-2070913-A1 Ester derivatives as phosphodiesterase inhibitors CHIESI FARMACEUTICI S.p.A. (IT) 2009-06-17 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-20110098323-A1 INHIBITORS OF BACTERIAL BIOFILM FORMATION BLVRB, TFPI, FOSB ALDH1A1 1408/4885AOX1 268/4885HPGD 378/4885
US-20210139414-A1 NOVEL BENZYLIDENEACETONE DERIVATIVE AND USE THEREOF EBP, CREBBP, BPTF ALDH1A1 34/4885AOX1 417/4885HPGD 192/4885
US-20090170903-A1 ESTER DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS PDE4A, PDE4B, PDE5A ALDH1A1 579/4885AOX1 1304/4885HPGD 429/4885
US-11629121-B2 Benzylideneacetone derivative and use thereof GNPAT, NAT1, ALDH7A1 ALDH1A1 6/4885AOX1 1096/4885HPGD 134/4885

“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.