SCHEMBL17447202

SCHEMBL17447202

CC(C)(C)OC(=O)C=C/C=C/c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 3/20 0.53
HDAC4 P56524 3/20 0.53
HDAC1 Q13547 3/20 0.53
HDAC7 Q8WUI4 3/20 0.53
HDAC2 Q92769 3/20 0.53
HDAC10 Q969S8 3/20 0.53
HDAC11 Q96DB2 3/20 0.53
HDAC8 Q9BY41 3/20 0.53
HDAC6 Q9UBN7 3/20 0.53
HDAC9 Q9UKV0 3/20 0.53
HDAC5 Q9UQL6 3/20 0.53
MAOB P27338 5/20 0.49
EGFR P00533 1/20 0.46
GLA P06280 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALDH1A1 P00352 3/20 0.45
MAPT P10636 3/20 0.45
NPC1 O15118 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45

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
SCHEMBL8118316 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL8104777 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5574375 1.00 HDAC3 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3804989 0.90 HDAC3 (0.44) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1006098 0.88 GLA (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL126771 0.88 GLA (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6676460 0.83 TDP1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL2099331 0.83 HDAC3 (0.45) HDAC3HDAC4HDAC1HDAC7HDAC2
Formic Acid SCHEMBL8583302 0.83 KMT2A (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12310124 0.83 HDAC3 (0.46) HDAC3HDAC4HDAC1HDAC7HDAC2

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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DUBLIN CITY UNIVERSITY (IE) 2016-01-21 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-20160016860-A1 METHODS FOR PHOSPHINE OXIDE REDUCTION IN CATALYTIC WITTIG REACTIONS DCXR, TECR, PWWP2B HDAC3 4352/4885HDAC4 2775/4885HDAC1 4231/4885

“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.