SCHEMBL416762

SCHEMBL416762

COC(=O)CCCc1ncc(-c2ccc(OC)cc2)o1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.71
HDAC6 Q9UBN7 9/20 0.71
HDAC2 Q92769 5/20 0.71
HDAC3 O15379 4/20 0.71
HDAC4 P56524 4/20 0.71
HDAC7 Q8WUI4 4/20 0.71
HDAC10 Q969S8 4/20 0.71
HDAC11 Q96DB2 4/20 0.71
HDAC8 Q9BY41 4/20 0.71
HDAC9 Q9UKV0 4/20 0.71
HDAC5 Q9UQL6 4/20 0.71
FAAH O00519 1/20 0.51
RXRA P19793 2/20 0.49
RXRB P28702 2/20 0.49
RXRG P48443 2/20 0.49
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
PKM P14618 1/20 0.45
FFAR1 O14842 1/20 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
SCHEMBL7368514 0.95 HDAC1 (0.79) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL416678 0.89 HDAC1 (0.69) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL10247702 0.87 HDAC1 (0.64) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL7365669 0.83 HDAC1 (0.80) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL3054236 0.82 HDAC1 (0.72) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL7371056 0.82 HDAC1 (1.00) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL7365351 0.81 HDAC1 (0.69) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL7363589 0.78 HDAC1 (0.65) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL4287001 0.76 RXRA (0.50) HDAC1HDAC6HDAC2HDAC3HDAC4
SCHEMBL9248638 0.75 RXRA (0.53) HDAC1HDAC6HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2012-01-26 US disclosed
EP-2376431-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS LABORATOIRE BIODIM (FR) 2011-10-19 EP disclosed
WO-2010066847-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS CELLVIR (FR) 2010-06-17 WO 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-20120022054-A1 NOVEL SUBSTITUTED ARYL DERIVATIVES, THEIR PROCESS OF PREPARATION AND THEIR THERAPEUTICAL USES AS ANTI-HIV AGENTS HAVCR2, MAVS, EIF2AK2 HDAC1 1056/4885HDAC6 418/4885HDAC2 1563/4885

“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.