SCHEMBL20869052

SCHEMBL20869052

O=C(OB(OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)OC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.57
NOTUM Q6P988 1/20 0.50
GAA P10253 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
P2RX1 P51575 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
MAPT P10636 1/20 0.38
CES1 P23141 1/20 0.38
TACR1 P25103 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HIF1A Q16665 1/20 0.36
RHOC P08134 1/20 0.36
RHOA P61586 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36

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
SCHEMBL14893085 0.81 CES2 (0.64) CES2NOTUMGAARXRARXRB
SCHEMBL12429619 0.79 CES2 (0.61) CES2NOTUMGAARXRARXRB
SCHEMBL1999038 0.78 NOTUM (0.77) CES2NOTUMGAAP2RX1HDAC3
SCHEMBL26536749 0.78 CES2 (0.59) CES2NOTUMGAARXRARXRB
SCHEMBL29459924 0.76 CES2 (0.57) CES2NOTUMGAARXRARXRB
SCHEMBL19280563 0.76 CES2 (0.57) CES2NOTUMGAARXRARXRB
SCHEMBL19541391 0.74 NOTUM (0.62) CES2NOTUMGAARXRARXRB
SCHEMBL5274963 0.74 CES2 (0.55) CES2NOTUMGAARXRARXRB
SCHEMBL475762 0.73 NOTUM (0.77) CES2NOTUMGAAMAPTNPSR1
SCHEMBL16180051 0.73 CES2 (0.73) CES2NOTUMGAARXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-11-23 US disclosed
US-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-13 US disclosed
EP-3762387-B1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-07-12 EP disclosed
US-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-05-04 US disclosed
US-20230108986-A1 ELECTRONIC DEVICE MERCK PATENT GMBH (DE) 2023-04-06 US disclosed
US-20220158101-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2022-05-19 US disclosed
US-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2021-05-20 US disclosed
US-20190103565-A1 Electronic Device and Method for Preparing the Same NOVALED GMBH (DE) 2019-04-04 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 (5 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-20230373941-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2E1, GPX1, ERCC1 CES2 38/4885NOTUM 2662/4885GAA 3173/4885
US-20230138100-A1 COMPOUNDS FOR ELECTRONIC DEVICES CYP2C19, ETV6, ESR1 CES2 92/4885NOTUM 1884/4885GAA 3076/4885
US-20220158101-A1 MATERIALS FOR ELECTRONIC DEVICES EED, EPHA6, ERCC1 CES2 29/4885NOTUM 2944/4885GAA 3364/4885
US-20230225196-A1 MATERIALS FOR ELECTRONIC DEVICES SELE, EPHA6, EPX CES2 37/4885NOTUM 2686/4885GAA 2762/4885
US-20210147375-A1 MATERIALS FOR ELECTRONIC DEVICES PNMT, EFNA1, TES CES2 67/4885NOTUM 1918/4885GAA 3949/4885

“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.