SCHEMBL9618568

SCHEMBL9618568

COc1ccc(C(=O)C(OC)(OC)c2ccccc2)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 3/20 0.77
CES2 O00748 2/20 0.56
CA1 P00915 4/20 0.52
CA2 P00918 4/20 0.52
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HPGD P15428 1/20 0.47
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 2/20 0.46
GAA P10253 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MEN1 O00255 1/20 0.46
HSPD1 P10809 1/20 0.46
TNFRSF1A P19438 1/20 0.46
MAOB P27338 1/20 0.46
HSPE1 P61604 1/20 0.46
CYP1B1 Q16678 1/20 0.46
F10 P00742 1/20 0.46

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
SCHEMBL10299600 0.91 CES1 (0.62) CES1CES2CA1CA2NPC1
SCHEMBL15173 0.88 CES1 (1.00) CES1CES2KDM4EMAPTALDH1A1
SCHEMBL1679763 0.88 CES1 (1.00) CES1CES2KDM4EMAPTALDH1A1
SCHEMBL27532278 0.86 CES1 (0.83) CES1NPC1RAB9AKDM4EHPGD
Methoxymethane SCHEMBL28719477 0.86 CES1 (0.96) CES1CES2KDM4EMAPTALDH1A1
SCHEMBL11495021 0.85 CES1 (0.80) CES1NPC1RAB9AHPGDMAPT
SCHEMBL9630435 0.85 CES1 (0.80) CES1CES2CA1CA2RAB9A
SCHEMBL278824 0.84 CES1 (0.69) CES1NPC1RAB9AKDM4EMAPT
Formaldehyde SCHEMBL1128921 0.84 CES1 (0.93) CES1CES2KDM4EHPGDMAPT
Formaldehyde SCHEMBL28114609 0.84 CES1 (0.93) CES1CES2KDM4EHPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4340552-A None JP disclosed
US-8791289-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-07-29 US disclosed
US-8791289-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-07-29 US disclosed
US-8664431-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-03-04 US disclosed
US-8664431-B2 Preparation method of copolymerizable photoinitiators AGFA GRAPHICS NV (BE) 2014-03-04 US disclosed
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2014-01-23 US disclosed
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2014-01-23 US disclosed
US-20100305336-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS AGFA GRAPHICS NV (BE) 2010-12-02 US disclosed
JP-H04340552-A PHOTOSENSITIVE RESIN COMPOSITION AND PHOTOSENSITIVE ELEMENT USING THAT HITACHI CHEM CO LTD 1992-11-26 JP 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-20100305336-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS HBB, HBZ, HBG1 CES1 744/4885CES2 313/4885CA1 4336/4885
US-20140024840-A1 PREPARATION METHOD OF COPOLYMERIZABLE PHOTOINITIATORS HBB, HBZ, HBG1 CES1 759/4885CES2 325/4885CA1 4312/4885

“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.