SCHEMBL17388489

SCHEMBL17388489

FC(F)=CC=CCCCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
MAPK1 P28482 1/20 0.40
ADRA1A P35348 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
MAOA P21397 1/20 0.38

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
SCHEMBL15957139 1.00 CA1 (0.42) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL8515713 0.78 TDP1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8515555 0.78 TDP1 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6053391 0.77 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3920904 0.76 SIGMAR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3920906 0.76 SIGMAR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2243799 0.75 HDAC3 (0.47) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL9399999 0.75 HDAC3 (0.47) CA1CA2HDAC3HDAC4HDAC1
SCHEMBL30817482 0.75 SIGMAR1 (0.47) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL4157108 0.74 CA1 (0.60) CA1CA2HDAC3HDAC4HDAC1

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-9856275-B2 Synthesis and use of fluorinated compounds THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 2018-01-02 US disclosed
US-20160002270-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-01-07 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-20160002270-A1 SYNTHESIS AND USE OF FLUORINATED COMPOUNDS AFF2, AFF4, AFF1 CA1 3178/4885CA2 2569/4885HDAC3 1101/4885

“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.