SCHEMBL459911

SCHEMBL459911

CCN1CCC(C)(NC(=O)c2cccc(Oc3ccc4c(c3)CC(C(=O)NO)CC4)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
ADRB3 P13945 5/20 0.38
ADRB1 P08588 3/20 0.38
FAAH O00519 4/20 0.36
MAPT P10636 1/20 0.36
TSHR P16473 1/20 0.36
MMP1 P03956 2/20 0.35
MMP9 P14780 2/20 0.35
MMP13 P45452 2/20 0.35
ADAM17 P78536 1/20 0.35
RAF1 P04049 3/20 0.35
BRAF P15056 3/20 0.35
KMT2A Q03164 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
RET P07949 1/20 0.35

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
SCHEMBL461785 0.88 HDAC8 (0.41) MCHR1HDAC8
SCHEMBL10197705 0.78 NPC1 (0.59) ADRB3ADRB1FAAHBRAFHDAC8
SCHEMBL435822 0.76 DRD2 (0.34) MAPTMMP1MMP9MMP13KMT2A
SCHEMBL10197645 0.74 FAAH (0.54) FAAH
SCHEMBL10197649 0.72 ADRB3 (0.49) ADRB3ADRB1FAAHMMP1MMP9
SCHEMBL461379 0.72 FAAH (0.44) ADRB3ADRB1FAAHRAF1BRAF
SCHEMBL10197813 0.71 DRD2 (0.39) MCHR1KMT2A
SCHEMBL10197674 0.71 RAF1 (0.47) ADRB3ADRB1FAAHRAF1BRAF
SCHEMBL459415 0.71 FAAH (0.43) FAAHRAF1BRAF
SCHEMBL346082 0.70 MMP3 (0.40) FAAHRAF1BRAF

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-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
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
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 MCHR1 3260/4885ADRB3 2139/4885ADRB1 2185/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 MCHR1 2145/4885ADRB3 1184/4885ADRB1 1063/4885

“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.