SCHEMBL19105012

SCHEMBL19105012

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

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ P2RX7 Q99572 1/20 0.33
▸ AKR1B1 P15121 2/20 0.32
▸ CA1 P00915 2/20 0.32
▸ TAS1R3 Q7RTX0 1/20 0.31
▸ TAS1R1 Q7RTX1 1/20 0.31
▸ TAS1R2 Q8TE23 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ THRA P10827 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ PTPN1 P18031 1/20 0.30
▸ GSTO1 P78417 1/20 0.30
▸ LDHA P00338 1/20 0.30
▸ LDHB P07195 1/20 0.30
▸ ALOX15 P16050 1/20 0.30

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
SCHEMBL11915912 0.80 CA1 (0.40) KDM4EALDH1A1MAPTHTTCA1
SCHEMBL15159286 0.80 SMN1; SMN2 (0.44) KDM4EALDH1A1AKR1B1CYP1A2THRA
SCHEMBL19105016 0.76 TAS1R3 (0.43) CA1TAS1R3TAS1R1TAS1R2PTPN1
SCHEMBL19105004 0.76 ELANE (0.37) KDM4EALDH1A1MAPTHTTCA1
SCHEMBL29302336 0.75 FFAR1 (0.33) KDM4E
SCHEMBL24894073 0.74 FFAR1 (0.33) —
SCHEMBL12342059 0.73 KDM4E (0.42) KDM4EALDH1A1MAPTHTTALOX15
SCHEMBL17373963 0.73 VCAM1 (0.38) KDM4EALDH1A1MAPTHTTCA1
SCHEMBL17337902 0.73 KMT2A (0.40) KDM4EALDH1A1MAPTHTTCA1
SCHEMBL15549226 0.73 SLC2A1 (0.43) KDM4EALDH1A1MAPTHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20170197916-A1 FUNCTIONALIZED PEGYLATED CYANINE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF ABL1, EGFR, ALB KDM4E 779/4885ALDH1A1 1441/4885MAPT 2475/4885

“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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