SCHEMBL9949404

SCHEMBL9949404

CC(C)(C)OC(=O)N1CCC(C)(C(=O)N2CCc3cc(C(=O)NO)ccc3C2)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 16/20 0.58
HDAC8 Q9BY41 5/20 0.58
ESR2 Q92731 1/20 0.54
HDAC1 Q13547 4/20 0.48
HDAC3 O15379 1/20 0.48
NR1H2 P55055 1/20 0.47
LMNA P02545 1/20 0.42

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
SCHEMBL9949180 0.90 ESR2 (0.54) HDAC6HDAC8ESR2HDAC1NR1H2
Hydrochloric Acid SCHEMBL9949251 0.89 ESR2 (0.53) HDAC6HDAC8ESR2HDAC1NR1H2
SCHEMBL1262881 0.86 HDAC6 (0.65) HDAC6HDAC8HDAC1HDAC3
SCHEMBL9959195 0.85 HDAC6 (0.59) HDAC6HDAC8HDAC1HDAC3
SCHEMBL10120400 0.85 HDAC6 (0.59) HDAC6HDAC8HDAC1HDAC3
SCHEMBL1264270 0.83 HDAC6 (0.61) HDAC6HDAC8HDAC1HDAC3
SCHEMBL10104761 0.81 HDAC6 (0.57) HDAC6HDAC8HDAC1HDAC3
SCHEMBL10104764 0.81 HDAC6 (0.59) HDAC6HDAC8HDAC1HDAC3
SCHEMBL10120396 0.81 HDAC6 (0.49) HDAC6HDAC8HDAC1LMNA
SCHEMBL14063092 0.78 ESR2 (0.69) HDAC6HDAC8ESR2HDAC1HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016120432-A1 COMPOUNDS AND METHODS FOR ANTICOAGULATION THERAPY FUNDACIÓN PARA LA INVESTIGACIÓN MÉDICA APLICADA (ES) 2016-08-04 WO claimed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US claimed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-8778931-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-07-15 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
US-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 US disclosed
WO-2012088015-A2 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-06-28 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-20120165316-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 HDAC6 1/4885HDAC8 10/4885ESR2 3090/4885

“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.