SCHEMBL19105004

SCHEMBL19105004

Cc1cc(F)c(F)c(OC(=O)C(C)C)c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 2/20 0.37
▸ GAA P10253 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ALOX15 P16050 1/20 0.35
▸ CES2 O00748 2/20 0.33
▸ CES1 P23141 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ ADRB2 P07550 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ ADRA2C P18825 1/20 0.32
▸ DRD1 P21728 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ POLB P06746 1/20 0.32

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
SCHEMBL12213944 0.89 MAPT (0.42) ELANEGAAKDM4EALDH1A1MAPT
SCHEMBL23057573 0.81 ELANE (0.36) ELANEGAAKDM4EALDH1A1MAPT
SCHEMBL12342059 0.79 KDM4E (0.42) GAAKDM4EALDH1A1MAPTHTT
SCHEMBL22381468 0.79 MAPT (0.37) ELANEGAAKDM4EALDH1A1MAPT
SCHEMBL22381458 0.77 ELANE (0.33) ELANEKDM4EALDH1A1MAPTHTT
SCHEMBL11915792 0.76 ELANE (0.42) ELANEGAAALOX15ADRB2ADRA2A
SCHEMBL19105012 0.76 KDM4E (0.37) KDM4EALDH1A1MAPTHTTALOX15
SCHEMBL21503687 0.76 ELANE (0.48) ELANEALOX15CES2CES1ADRB2
SCHEMBL17662449 0.76 ELANE (0.40) ELANEGAAALDH1A1ALOX15CES2
SCHEMBL18211365 0.75 ELANE (0.39) ELANEMAPTMEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230399515-A1 PHTHALOCYANINE DYE COMPOUNDS, CONJUGATES AND METHODS OF USE THEREOF Rakuten Medical, Inc. 2023-12-14 — — US disclosed
US-20230158169-A1 LINKERS FOR IMPROVING THE STABILITY OF BIOCONJUGATES AND THE SELECTIVITY OF PAYLOAD RELEASE AUDAX PRIVATE DEBT LLC, AS AGENT 2023-05-25 — — US disclosed
US-9862682-B2 Functionalized pegylated cyanine compounds, pharmaceutical compositions, and methods of use thereof BroadPharm (US) 2018-01-09 — — US disclosed
US-20170197916-A1 FUNCTIONALIZED PEGYLATED CYANINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF BroadPharm (US) 2017-07-13 — — 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 (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-20170197916-A1 FUNCTIONALIZED PEGYLATED CYANINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ABL1, EGFR, ALB ELANE 848/4885GAA 930/4885KDM4E 779/4885
US-20230158169-A1 LINKERS FOR IMPROVING THE STABILITY OF BIOCONJUGATES AND THE SELECTIVITY OF PAYLOAD RELEASE CTSA, CTSS, CTSV ELANE 1019/4885GAA 15/4885KDM4E 2158/4885

“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.

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