SCHEMBL997629

SCHEMBL997629

C=C(C)C(=O)OCC(O)COc1ccc2ccccc2c1OCC(O)COC(=O)C(=C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2E1 Q9Y466 5/20 0.44
CYP1A2 P05177 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 3/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
ADRB2 P07550 4/20 0.40
ADRB1 P08588 4/20 0.40
SIGMAR1 Q99720 4/20 0.40
CYP2D6 P10635 3/20 0.40
SLC6A4 P31645 3/20 0.40
HTR2B P41595 3/20 0.40
ALDH1A1 P00352 3/20 0.40
ADRB3 P13945 3/20 0.40
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
HTR6 P50406 3/20 0.40
SCN1A P35498 2/20 0.40

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
SCHEMBL12416580 0.89 NR2E1 (0.45) NR2E1CYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL8217312 0.86 TSHR (0.40) NR2E1CYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL9321779 0.86 NR2E1 (0.60) NR2E1CYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL12458553 0.80 KDM4E (0.42) SMN1; SMN2KDM4EADRB2ADRB1ALDH1A1
SCHEMBL12416575 0.78 CYP1A2 (0.52) CYP1A2SMN1; SMN2LMNAKDM4EKMT2A
SCHEMBL10490256 0.78 LMNA (0.44) NR2E1CYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL2510951 0.78 ALDH1A1 (0.40) NR2E1CYP1A2SMN1; SMN2LMNAKDM4E
SCHEMBL30178735 0.78 RAB9A (0.51) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL3169241 0.78 RAB9A (0.51) SMN1; SMN2LMNAKDM4EMEN1KMT2A
SCHEMBL13328772 0.77 KDM4E (0.57) CYP1A2SMN1; SMN2LMNAKDM4EMEN1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2738188-B1 MONOLAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME MITSUI CHEMICALS INC (JP) 2019-05-22 EP disclosed
US-10040947-B2 Primer composition MITSUI CHEMICALS, INC. (JP) 2018-08-07 US disclosed
US-20180163056-A1 HYDROPHILIC CURABLE COMPOSITIONS MITSUI CHEMICALS, INC. (JP) 2018-06-14 US disclosed
US-20180036995-A1 HYDROPHILIC MONOLAYER FILM WITH OPTICAL FUNCTIONALITY AND STACK OF THE SAME MITSUI CHEMICALS, INC. (JP) 2018-02-08 US disclosed
EP-3270192-A1 HYDROPHILIC SINGLE-LAYER FILM HAVING OPTICAL FUNCTIONALITY, AND LAMINATE THEREOF Mitsui Chemicals, Inc. (JP) 2018-01-17 EP disclosed
US-20170209345-A1 DENTAL PROSTHESIS MITSUI CHEMICALS, INC. (JP) 2017-07-27 US disclosed
EP-3081578-A1 COMPOSITION FOR HYDROPHILIC CURED PRODUCT Mitsui Chemicals, Inc. (JP) 2016-10-19 EP disclosed
EP-2599799-B1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME MITSUI CHEMICALS INC (JP) 2016-05-25 EP disclosed
US-9238769-B2 Monolayer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2016-01-19 US disclosed
US-9034464-B2 Single layer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2015-05-19 US disclosed
US-20140154451-A1 MONOLAYER FILM AND HYDROPHILIC MATERIAL COMPRISING THE SAME MITSUI CHEMICALS, INC. 2014-06-05 US disclosed
EP-2738188-A1 MONOLAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME Mitsui Chemicals, Inc. (JP) 2014-06-04 EP disclosed
US-8617711-B2 Single layer film and hydrophilic material comprising the same MITSUI CHEMICALS, INC. (JP) 2013-12-31 US disclosed
US-20130156959-A1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING THE SAME MITSUI CHEMICALS, INC. (JP) 2013-06-20 US disclosed
EP-2599799-A1 SINGLE-LAYER FILM AND HYDROPHILIC MATERIAL COMPRISING SAME Mitsui Chemicals, Inc. (JP) 2013-06-05 EP disclosed
EP-2258780-B1 PRIMER COMPOSITION MITSUI CHEMICALS INC (JP) 2012-09-26 EP disclosed
US-20110014483-A1 PRIMER COMPOSITION MITSUI CHEMICALS, INC. 2011-01-20 US disclosed
EP-2258780-A1 PRIMER COMPOSITION Mitsui Chemicals, Inc. (JP) 2010-12-08 EP disclosed
US-20090191373-A1 Single Layer Film and Hydrophilic Material Comprising the Same MITSUI CHEMICALS ,INC. 2009-07-30 US disclosed
EP-1955782-A1 SINGLE LAYER FILM AND HYDROPHILIC MATERIAL COMPOSED OF SAME Mitsui Chemicals, Inc. (JP) 2008-08-13 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 (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-20170209345-A1 DENTAL PROSTHESIS CAD, OR10J3, PSMA3 NR2E1 3884/4885CYP1A2 2373/4885SMN1; SMN2 4234/4885

“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.