SCHEMBL4120520

SCHEMBL4120520

C=C(C)C(=O)OCCOc1ccccc1C(C)(C)c1ccccc1OCCOC(=O)C(=C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
GAA P10253 3/20 0.44
TDP1 Q9NUW8 6/20 0.43
HTT P42858 3/20 0.43
MAPK1 P28482 1/20 0.43
THRB P10828 2/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
POLB P06746 1/20 0.41
APEX1 P27695 1/20 0.41
ATM Q13315 1/20 0.40
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
TSHR P16473 2/20 0.37

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
SCHEMBL11138026 0.93 TDP1 (0.49) ALDH1A1KDM4EGAATDP1HTT
SCHEMBL3027297 0.91 ALDH1A1 (0.53) ALDH1A1KDM4EGAATDP1HTT
SCHEMBL10580556 0.86 THRB (0.50) ALDH1A1KDM4EGAATDP1HTT
SCHEMBL17033943 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EGAATDP1HTT
SCHEMBL1938350 0.82 THRB (0.46) ALDH1A1KDM4ETDP1HTTTHRB
SCHEMBL1109621 0.81 CYP1A2 (0.48) ALDH1A1KDM4ETDP1LMNASMN1; SMN2
SCHEMBL29376964 0.81 CYP1A2 (0.48) ALDH1A1KDM4ETDP1LMNASMN1; SMN2
SCHEMBL7753552 0.81 KDM4E (0.45) ALDH1A1KDM4EGAATDP1HTT
SCHEMBL8363546 0.81 NPSR1 (0.57) ALDH1A1KDM4ETDP1HTTTHRB
SCHEMBL31426927 0.81 TDP1 (0.51) ALDH1A1KDM4ETDP1HTTTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952466-A2 Lens sheet MITSUBISHI RAYON CO., LTD. (JP) 1999-10-27 EP claimed
US-5340893-A Blend containing an allyl containing polyester NOF CORPORATION (JP) 1994-08-23 US claimed
EP-0452540-B1 Adhesive for the assembling of molded articles in man-made polycarbonates HERAEUS KULZER GMBH (DE) 1993-12-15 EP claimed
US-5006340-A Methacrylate monomer, polymerization initiator, bactericide MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-09 US claimed
EP-0223245-A2 Curable compositions for dental drugs having sustained release property MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-05-27 EP claimed
EP-1864645-B1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES KURARAY NORITAKE DENTAL INC (JP) 2013-05-22 EP disclosed
US-20090068123-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES KURARAY MEDICAL INC (JP) 2009-03-12 US disclosed
EP-1361246-B1 ORGANIC POLYMER AND NOVEL POLYMERIZABLE COMPOUND MITSUI CHEMICALS INC (JP) 2009-02-18 EP disclosed
EP-1437981-B1 PROSTHETIC TEETH AND METHOD OF MAKING THEREFOR DENTSPLY INT INC (US) 2008-08-20 EP disclosed
US-7402374-B2 Method for colored image formation FUJIFILM CORPORATION (JP) 2008-07-22 US disclosed
EP-1864645-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES Kuraray Medical Inc. (JP) 2007-12-12 EP disclosed
US-20050271981-A1 Method for colored image formation FUJIFILM CORPORATION (JP) 2005-12-08 US disclosed
US-5055579-A Photoinitiators; high sensitivity in visible spectral range; stability HOECHST AKTIENGESELLSCHAFT (DE) 1991-10-08 US disclosed
US-5006340-A Methacrylate monomer, polymerization initiator, bactericide MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1991-04-09 US disclosed
US-4966766-A ADMINISTERING TO A TOOTH OR GUM A MIXTURE OF AN ACRYLATE MONOMER, A POLYMERIZATION CATALYST AND A BACTERICIDE MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-10-30 US disclosed
US-4925660-A ACRYLATE MONOMER, POLYMERIZATION INITIATOR, BACTERICIDE; PHOTOPOLYMERIZATION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1990-05-15 US disclosed
EP-0348166-A2 Adhesive composition containing a thiocarboxylic acid or a derivative thereof KURARAY CO., LTD. (JP) 1989-12-27 EP disclosed
EP-0277413-A2 Adhesive particularly for dental use KURARAY CO., LTD. (JP) 1988-08-10 EP disclosed
EP-0223245-A2 Curable compositions for dental drugs having sustained release property MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1987-05-27 EP disclosed
US-4396476-A ACRYLIC ESTER HOMO- AND COPOLYMERS; PROSTHETICS; DENISTRY; MOLDING MATERIALS DENTSPLY RESEARCH & DEVELOPMENT CORPORATION (US) 1983-08-02 US 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 (1 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-20090068123-A1 FLUORINE ION-RELEASABLE COMPOSITION FOR DENTAL PURPOSES ITGA5, ITGAL, PHOSPHO1 ALDH1A1 3682/4885KDM4E 807/4885GAA 1849/4885

“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.