SCHEMBL12868305

SCHEMBL12868305

Cc1ccc2c(c1)cc(C(=O)C(C)(C)C)n2C

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.58
▸ LMNA P02545 9/20 0.55
▸ TP53 P04637 6/20 0.55
▸ RXFP1 Q9HBX9 2/20 0.55
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ MAPT P10636 6/20 0.50
▸ POLB P06746 1/20 0.50
▸ GFER P55789 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ MCL1 Q07820 1/20 0.46

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
SCHEMBL5509362 0.84 CLK1 (0.58) THRBLMNATP53RXFP1MEN1
SCHEMBL24198804 0.83 RXFP1 (0.59) RXFP1MEN1KMT2AKDM4EALDH1A1
SCHEMBL5599830 0.81 KDM4E (0.68) THRBLMNATP53RXFP1MEN1
SCHEMBL30547707 0.81 KDM4E (0.68) THRBLMNATP53RXFP1MEN1
SCHEMBL9613264 0.80 THRB (0.61) THRBLMNATP53RXFP1MEN1
SCHEMBL2732940 0.80 MCL1 (0.67) MEN1KMT2AMAPTMCL1
SCHEMBL7877590 0.77 L3MBTL1 (0.72) THRBLMNATP53RXFP1MEN1
SCHEMBL28265749 0.76 THRB (0.57) THRBLMNATP53RXFP1MEN1
SCHEMBL11529770 0.75 MAPT (0.67) THRBLMNATP53RXFP1MEN1
SCHEMBL15222325 0.75 THRB (0.73) THRBLMNATP53RXFP1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9321731-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2016-04-26 — — US disclosed
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. 2016-02-04 — — US disclosed
US-9096518-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-08-04 — — US disclosed
US-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-11-06 — — US disclosed
US-8624040-B2 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-01-07 — — US disclosed
US-20110046157-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-24 — — US disclosed
US-20110039827-A1 Substituted hydroxamic acids and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-02-17 — — 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 (4 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-20140329836-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 THRB 2706/4885LMNA 784/4885TP53 3270/4885
US-20110039827-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 THRB 2831/4885LMNA 1009/4885TP53 3014/4885
US-20110046157-A1 Substituted hydroxamic acids and uses thereof HDAC6, HDAC5, HDAC1 THRB 2706/4885LMNA 784/4885TP53 3270/4885
US-20160031820-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC5, HDAC1 THRB 2831/4885LMNA 1009/4885TP53 3014/4885

“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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