SCHEMBL1412751

SCHEMBL1412751

C=CC1CC1(C(C)=O)C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.35
NPSR1 Q6W5P4 1/20 0.35
LMNA P02545 3/20 0.33
HSD17B10 Q99714 1/20 0.33
ATM Q13315 1/20 0.33
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
GLO1 Q04760 1/20 0.31
TSHR P16473 2/20 0.30

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
SCHEMBL14312213 0.91 ALDH1A1 (0.37) ALDH1A1NPSR1LMNAHSD17B10ATM
SCHEMBL14312248 0.91 ALDH1A1 (0.37) ALDH1A1NPSR1LMNAHSD17B10ATM
SCHEMBL1412659 0.91 ALDH1A1 (0.37) ALDH1A1NPSR1LMNAHSD17B10ATM
SCHEMBL300751 0.87 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAATMPOLB
SCHEMBL14312232 0.87 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAATMPOLB
SCHEMBL3859771 0.87 ALDH1A1 (0.35) ALDH1A1NPSR1LMNAATMPOLB
SCHEMBL15030970 0.85 ALDH1A1 (0.37) ALDH1A1NPSR1LMNAATMPOLB
SCHEMBL15102759 0.84 ALDH1A1 (0.33) ALDH1A1NPSR1ATMPOLBMAPK1
SCHEMBL19834944 0.83 TSHR (0.37) ALDH1A1NPSR1ATMMAPK1MEN1
SCHEMBL21074531 0.83 ALDH1A1 (0.37) ALDH1A1NPSR1LMNAHSD17B10ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4996120-A Free radical polymerization upon exposure to actinic radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1991-02-26 US claimed
US-4959284-A Holographic photopolymer compositions and elements containing a ring-opening monomer E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-25 US claimed
EP-0377182-A2 Improved holographic photopolymer compositions and elements containing a ring-opening monomer E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-11 EP claimed
US-9159356-B2 Non-resonant two-photon absorption recording material, non-resonant polymer two-photon absorption optical information recording medium, and recording/reproducing method FUJIFILM CORPORATION (JP) 2015-10-13 US disclosed
US-20140078878-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, NON-RESONANT POLYMER TWO-PHOTON ABSORPTION OPTICAL INFORMATION RECORDING MEDIUM, AND RECORDING/REPRODUCING METHOD FUJIFILM CORPORATION (JP) 2014-03-20 US disclosed
EP-2043096-B1 Two-photon absorption recording material containing dye having polymerizable group FUJIFILM CORP (JP) 2011-03-16 EP disclosed
US-20090088490-A1 TWO-PHOTON ABSORPTION RECORDING MATERIAL CONTAINING DYE HAVING POLYMERIZABLE GROUP FUJIFILM CORPORATION (JP) 2009-04-02 US disclosed
EP-2043096-A1 Two-photon absorption recording material containing dye having polymerizable group FUJIFILM Corporation (JP) 2009-04-01 EP disclosed
US-7112616-B2 Two-photon absorbing polymerizable composition and polymerization process thereof FUJI PHOTO FILM CO., LTD. (JP) 2006-09-26 US disclosed
US-20040204513-A1 Two-photon absorbing polymerizable composition and polymerization process thereof FUJI PHOTO FILM CO., LTD. 2004-10-14 US disclosed
EP-0572524-B1 RED SENSITIVE PHOTOPOLYMERIZABLE COMPOSITIONS DU PONT (US) 1996-12-18 EP disclosed
US-5147758-A Containing squarylium dye, boron anion initiator E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-15 US disclosed
WO-1992014765-A1 RED SENSITIVE PHOTOPOLYMERIZABLE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1992-09-03 WO disclosed
US-4996120-A Free radical polymerization upon exposure to actinic radiation E. I. DUPONT DE NEMOURS AND COMPANY (US) 1991-02-26 US disclosed
US-4959284-A Holographic photopolymer compositions and elements containing a ring-opening monomer E. I. DU PONT DE NEMOURS AND COMPANY (US) 1990-09-25 US disclosed
EP-0377182-A2 Improved holographic photopolymer compositions and elements containing a ring-opening monomer E.I. DU PONT DE NEMOURS AND COMPANY (US) 1990-07-11 EP disclosed
US-4681703-A Alkyl substituted-2,3-dihydrofuran fragrance compositions NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1987-07-21 US disclosed
US-4636571-A ORGANOLEPTIC NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1987-01-13 US disclosed
US-4522749-A Process for augmenting or enhancing the aroma of a fragrance by adding a vinylcyclopropane compound NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) 1985-06-11 US disclosed
EP-0075365-A2 Process for preparing tertiary amines with a tridecatrienyl chain, and the compounds obtained ANIC S.p.A. (IT) 1983-03-30 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 (2 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-20090088490-A1 TWO-PHOTON ABSORPTION RECORDING MATERIAL CONTAINING DYE HAVING POLYMERIZABLE GROUP DCX, SLC18A2, KCNN2 ALDH1A1 2216/4885NPSR1 979/4885LMNA 1112/4885
US-20140078878-A1 NON-RESONANT TWO-PHOTON ABSORPTION RECORDING MATERIAL, NON-RESONANT POLYMER TWO-PHOTON ABSORPTION OPTICAL INFORMATION RECORDING MEDIUM, AND RECORDING/REPRODUCING METHOD PUF60, PARG, FHIT ALDH1A1 3106/4885NPSR1 646/4885LMNA 1635/4885

“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.