SCHEMBL15522738

SCHEMBL15522738

COc1ccc(CCCCc2ccc(CC(=O)NO)cc2)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.55
▸ HDAC1 Q13547 6/20 0.54
▸ HDAC8 Q9BY41 6/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ HDAC2 Q92769 1/20 0.54
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ MAPT P10636 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ GLS O94925 1/20 0.53
▸ EPHX2 P34913 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ PLAAT3 P53816 1/20 0.52
▸ PLAAT5 Q96KN8 1/20 0.52
▸ PLAAT2 Q9NWW9 1/20 0.52
▸ PLAAT4 Q9UL19 1/20 0.52

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
SCHEMBL21156696 0.88 EPHX2 (0.64) KMT2AHDAC1HDAC8HDAC3HDAC2
SCHEMBL11414291 0.85 HDAC1 (0.67) KMT2AHDAC1HDAC8HDAC3HDAC2
SCHEMBL15522500 0.82 HTT (0.65) HDAC1HDAC8CYP2D6
SCHEMBL11414289 0.82 HDAC1 (0.65) KMT2AHDAC1HDAC8HDAC3HDAC2
SCHEMBL15522678 0.81 HDAC1 (0.74) KMT2AHDAC1HDAC8HDAC3HDAC2
SCHEMBL5212000 0.80 L3MBTL1 (0.72) —
SCHEMBL10343404 0.79 ATM (0.70) KMT2ACYP3A4CYP2D6MAPT
SCHEMBL30869991 0.79 ATM (0.70) KMT2ACYP3A4CYP2D6MAPT
SCHEMBL15581453 0.78 HDAC1 (0.58) KMT2AHDAC1HDAC8HDAC3HDAC2
SCHEMBL9826643 0.78 PDE4A (0.61) MAPTPLAAT3PLAAT5PLAAT2PLAAT4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 — — US claimed
WO-2014041424-A1 HISTONE DEACETYLASE INHIBITORS FOR ENHANCING ACTIVITY OF ANTIFUNGAL AGENTS METHYLGENE INC. (CA) 2014-03-20 — — WO claimed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 — — US disclosed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 — — US disclosed
US-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents METHYLGENE INC. (CA) 2014-03-20 — — 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-20140081017-A1 Histone Deacetylase Inhibitors for Enhancing Activity of Antifungal Agents HDAC1, HDAC5, HDAC7 KMT2A 54/4885HDAC1 1/4885HDAC8 8/4885

“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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