SCHEMBL7709495

SCHEMBL7709495

O=CCCc1nccc(C(F)(F)F)n1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 1/20 0.39
PKM P14618 3/20 0.38
MBOAT4 Q96T53 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.34
TAS2R14 Q9NYV8 1/20 0.34
OGA O60502 1/20 0.34
LOX P28300 1/20 0.33
TNKS O95271 1/20 0.33
PARP1 P09874 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
HTR2C P28335 3/20 0.33
HTR2A P28223 2/20 0.33
HTR2B P41595 2/20 0.33
SYK P43405 2/20 0.32
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
SLC6A7 Q99884 1/20 0.32
RBP4 P02753 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL3549645 0.90 ADRB1 (0.37) ADRB1PKMMBOAT4LOXL2TAS2R14
SCHEMBL3543485 0.78 MBOAT4 (0.36) ADRB1PKMMBOAT4LOXL2TAS2R14
SCHEMBL18647595 0.77 MBOAT4 (0.42) ADRB1PKMMBOAT4LOXL2OGA
SCHEMBL27573575 0.75 MBOAT4 (0.40) ADRB1PKMMBOAT4LOXL2OGA
SCHEMBL23361091 0.73 ADRB1 (0.39) ADRB1PKMLOXL2TAS2R14LOX
SCHEMBL8647747 0.73 LOXL2 (0.57) LOXL2LOX
SCHEMBL3925099 0.73 SYK (0.45) PKMMBOAT4TAS2R14SYK
SCHEMBL18003081 0.73 SYK (0.40) PKMSYK
SCHEMBL3364013 0.73 MBOAT4 (0.41) ADRB1PKMMBOAT4LOXL2TAS2R14
SCHEMBL1509561 0.73 LOXL2 (0.52) ADRB1PKMMBOAT4LOXL2TAS2R14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020022628-A1 Compounds ASTRAZENECA AB (SE) 2002-02-21 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-20020022628-A1 Compounds MMP13, MMP11, MMP3 ADRB1 3310/4885PKM 2433/4885MBOAT4 3149/4885

“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.