SCHEMBL9949280

SCHEMBL9949280

CCN1CCC(C)(C(=O)N2CCc3cc(C(=O)OC)ccc3C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 4/20 0.45
HDAC8 Q9BY41 2/20 0.45
ACACB O00763 1/20 0.45
NAMPT P43490 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TP53 P04637 1/20 0.39
PRMT5 O14744 3/20 0.39
WDR77 Q9BQA1 3/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39

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
SCHEMBL10104761 0.88 HDAC6 (0.57) HDAC6HDAC8PRMT5WDR77HDAC3
SCHEMBL9959094 0.85 HDAC6 (0.46) HDAC6HDAC8ACACBNAMPTESR1
Hydrochloric Acid SCHEMBL9950085 0.84 HDAC6 (0.46) HDAC6HDAC8ACACBNAMPTESR1
SCHEMBL9949180 0.82 ESR2 (0.54) HDAC6HDAC8ACACBNAMPTESR1
Hydrochloric Acid SCHEMBL9949251 0.82 ESR2 (0.53) HDAC6HDAC8ACACBNAMPTESR1
SCHEMBL20178679 0.80 ACACB (0.59) HDAC6HDAC8ACACBNAMPTKDM4E
SCHEMBL1788946 0.80 ACACB (0.53) HDAC6ACACBKDM4EALDH1A1HSD17B10
SCHEMBL1262881 0.77 HDAC6 (0.65) HDAC6HDAC8HDAC3HDAC1
SCHEMBL1027755 0.76 HDAC6 (0.56) HDAC6HDAC8ACACBNAMPTESR1
SCHEMBL31276014 0.76 HDAC6 (0.56) HDAC6HDAC8ACACBNAMPTESR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 10/4885ACACB 190/4885

“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.