SCHEMBL17540310

SCHEMBL17540310

C=Cc1ccc(CN(C)CC(F)(F)C(=O)OCC23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 9/20 0.45
▸ HDAC5 Q9UQL6 6/20 0.45
▸ HDAC3 O15379 5/20 0.45
▸ HDAC1 Q13547 5/20 0.45
▸ HDAC4 P56524 5/20 0.45
▸ HDAC8 Q9BY41 4/20 0.45
▸ HDAC2 Q92769 3/20 0.45
▸ HDAC10 Q969S8 2/20 0.45
▸ P2RX7 Q99572 1/20 0.39
▸ CXCR3 P49682 1/20 0.38
▸ HDAC11 Q96DB2 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ HDAC7 Q8WUI4 3/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SCN9A Q15858 3/20 0.32
▸ HDAC9 Q9UKV0 2/20 0.32
▸ SCN5A Q14524 1/20 0.31

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
SCHEMBL17540311 0.91 HDAC6 (0.39) HDAC6HDAC5HDAC3HDAC1HDAC4
SCHEMBL17540306 0.86 KMT2A (0.41) HDAC6HDAC5HDAC3HDAC1HDAC4
SCHEMBL17540313 0.79 TSHR (0.39) HDAC6HDAC5HDAC3HDAC1HDAC4
SCHEMBL17540312 0.78 ACHE (0.37) HDAC6HDAC5HDAC3HDAC1HDAC4
SCHEMBL17540308 0.78 POLB (0.34) HDAC6HDAC5HDAC3HDAC1HDAC4
SCHEMBL17540305 0.75 HDAC6 (0.35) HDAC6HDAC5HDAC3HDAC1HDAC4
SCHEMBL17545698 0.74 SCN9A (0.35) HDAC6HDAC5HDAC3HDAC1HDAC4
SCHEMBL22951079 0.74 P2RX7 (0.68) HDAC6HDAC5HDAC3HDAC1HDAC4
SCHEMBL17540304 0.73 SMN1; SMN2 (0.38) ALDH1A1MEN1KMT2A
SCHEMBL17545704 0.70 CA2 (0.36) HDAC6HDAC3HDAC1HDAC2ALDH1A1

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-20160052877-A1 SALT, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2016-02-25 — — 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-20160052877-A1 SALT, RESIN, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN RER1, AFF1, FRG1 HDAC6 142/4885HDAC5 643/4885HDAC3 211/4885

“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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