SCHEMBL346188

SCHEMBL346188

COC(=O)C1CCc2ccc(C(=O)NC(C)(C)C)cc2C1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
HDAC8 Q9BY41 11/20 0.41
ALDH1A1 P00352 2/20 0.40
HDAC6 Q9UBN7 4/20 0.40
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX12 P18054 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL10197709 0.85 HDAC8 (0.46) SIRT2HDAC8ALDH1A1HDAC6
SCHEMBL18159330 0.83 NPC1 (0.45) HDAC8HDAC6MTNR1AMTNR1BSMN1; SMN2
SCHEMBL18148399 0.83 KDM4E (0.44) HDAC8ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL10249768 0.80 HDAC8 (0.51) HDAC8HDAC6
SCHEMBL2766220 0.78 FAAH (0.47) ALDH1A1MEN1MAPTRAB9AKMT2A
SCHEMBL29732553 0.78 FAAH (0.47) ALDH1A1MEN1MAPTRAB9AKMT2A
SCHEMBL10721805 0.78 ALDH1A1 (0.49) ALDH1A1KMT2A
SCHEMBL18165463 0.78 NPC1 (0.45) MTNR1AMTNR1BMAPTRAB9AKMT2A
SCHEMBL25554148 0.77 MTNR1A (0.44) ALDH1A1MTNR1AMTNR1BCYP3A4MAPT
SCHEMBL346094 0.77 CA1 (0.53) MTNR1AMTNR1BMEN1MAPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
WO-2012012320-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENIUM PHARMACEUTICALS, INC. (US) 2012-01-26 WO disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 US disclosed
US-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2012-01-19 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 (2 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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 SIRT2 38/4885HDAC8 13/4885ALDH1A1 559/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 SIRT2 72/4885HDAC8 19/4885ALDH1A1 185/4885

“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.