SCHEMBL4579424

SCHEMBL4579424

C/C(=C\c1ccc(C#N)cc1)C(=O)O

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.62
FBP1 P09467 3/20 0.57
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 4/20 0.53
KMT2A Q03164 2/20 0.53
PKM P14618 1/20 0.53
ATM Q13315 1/20 0.53
L3MBTL1 Q9Y468 2/20 0.47
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
CISD1 Q9NZ45 1/20 0.44
SLC16A3 O15427 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
SLC16A1 P53985 1/20 0.44
GPR35 Q9HC97 1/20 0.44
EGFR P00533 1/20 0.44
HDAC2 Q92769 1/20 0.44

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
SCHEMBL20764492 1.00 AKR1C3 (0.62) AKR1C3FBP1ALDH1A1KDM4EKMT2A
SCHEMBL3246531 1.00 AKR1C3 (0.62) AKR1C3FBP1ALDH1A1KDM4EKMT2A
SCHEMBL28405151 0.95 AKR1C3 (0.56) AKR1C3FBP1ALDH1A1KDM4EKMT2A
SCHEMBL2439472 0.89 FBP1 (0.57) AKR1C3FBP1ALDH1A1KDM4EKMT2A
SCHEMBL2439471 0.89 FBP1 (0.57) AKR1C3FBP1ALDH1A1KDM4EKMT2A
SCHEMBL2462983 0.85 AKR1C3 (0.82) AKR1C3ALDH1A1KDM4EL3MBTL1
SCHEMBL2462984 0.85 AKR1C3 (0.82) AKR1C3ALDH1A1KDM4EL3MBTL1
SCHEMBL8691830 0.85 FBP1 (0.54) AKR1C3FBP1ALDH1A1KDM4EKMT2A
SCHEMBL5202408 0.84 FBP1 (0.53) AKR1C3FBP1ALDH1A1KDM4EKMT2A
SCHEMBL5202399 0.84 FBP1 (0.53) AKR1C3FBP1ALDH1A1KDM4EKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0198252-B1 WATER- AND OIL-REPELLENT DAIKIN INDUSTRIES, LIMITED (JP) 1992-01-22 EP claimed
CN-110997627-B Cyst amide derivatives 亥姆霍兹感染研究中心有限公司 2023-10-10 CN disclosed
WO-2023094549-A1 FLEXIBLE PRESSURE-SENSITIVE ADHESIVES HAVING IMPROVED PROPERTIES WESTFÄLISCHE HOCHSCHULE GELSENKIRCHEN BOCHOLT RECKLINGHAUSEN (DE) 2023-06-01 WO disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
US-11034648-B2 Cystobactamide derivatives HELMHOLTZ-ZENTRUM FÜR (DE) 2021-06-15 US disclosed
EP-3672937-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-07-01 EP disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2020-06-18 US disclosed
CN-110997627-A Novel cystobacter amide derivatives 亥姆霍兹感染研究中心有限公司 2020-04-10 CN disclosed
WO-2019038405-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES Helmholtz-Zentrum für Infektionsforschung GmbH (DE) 2019-02-28 WO disclosed
US-7090957-B2 Polymerizable composition and planographic printing plate precursor using the same FUJI PHOTO FILM CO., LTD. (JP) 2006-08-15 US disclosed
US-20060135742-A1 Polymerizable composition and planographic printng plate precursor using the same FUJI PHOTO FILM CO., LTD. 2006-06-22 US disclosed
US-20060127809-A1 Polymerizable composition and planographic printing plate precursor using the same FUJI PHOTO FILM CO., LTD. 2006-06-15 US disclosed
US-20060106048-A1 Furoisoquinoline derivative and use thereof PASCALI, PETROS P. (CY) 2006-05-18 US disclosed
EP-1541576-A1 FUROISOQUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2005-06-15 EP disclosed
EP-0903225-B1 Light sensitive composition and image forming material KONISHIROKU PHOTO IND (JP) 2004-09-22 EP disclosed
US-20040062939-A1 Polymerizable composition and planogaphic printing plate precursor using the same FUJI PHOTO FILM CO., LTD. 2004-04-01 US disclosed
EP-1400851-A2 Polymerizable composition and planographic printing plate precursor using the same FUJI PHOTO FILM CO., LTD. (JP) 2004-03-24 EP disclosed
US-6051361-A PHOTOSENSITIVE MIXTURE COMPRISING A COMPOUND CAPABLE OF GENERATING AN ACID ON EXPOSURE OF ACTINIC LIGHT, A COMPOUND CAN BE CROSSLINKING BY AN ACID, AN INFRARED ABSORBER AND AN ADDITIONAL POLYMER KONICA CORPORATION (JP) 2000-04-18 US disclosed
EP-0903225-A2 Light sensitive composition and image forming material KONICA CORPORATION (JP) 1999-03-24 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 (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-11034648-B2 Cystobactamide derivatives CTH, CBS, SLC7A11 AKR1C3 1322/4885FBP1 431/4885ALDH1A1 2016/4885
US-20200190020-A1 NOVEL CYSTOBACTAMIDE DERIVATIVES CTH, CBS, SLC7A11 AKR1C3 1237/4885FBP1 362/4885ALDH1A1 2382/4885
US-20060106048-A1 Furoisoquinoline derivative and use thereof PDE3B, PDE2A, PDE3A AKR1C3 176/4885FBP1 3961/4885ALDH1A1 423/4885

“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.