SCHEMBL461316

SCHEMBL461316

CCCc1ccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.45
GHSR Q92847 1/20 0.41
MCL1 Q07820 1/20 0.40
FAAH O00519 4/20 0.39
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
ADRB3 P13945 1/20 0.37
ACACB O00763 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
DRD3 P35462 3/20 0.36
DRD2 P14416 2/20 0.36

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
SCHEMBL10265156 0.85 ABL1 (0.40) GHSRFAAHMMP2MMP9ADRB3
SCHEMBL10260016 0.82 FAAH (0.51) GHSRFAAHHDAC8ADRB3
SCHEMBL459626 0.81 MTNR1A (0.50) MCHR1FAAHMMP2MMP9MMP13
SCHEMBL435688 0.81 ADRB3 (0.47) FAAHHDAC8ADRB3
SCHEMBL436855 0.81 GHSR (0.46) GHSRFAAHHDAC8ADRB3
SCHEMBL459845 0.80 FAAH (0.49) GHSRFAAHHDAC8ADRB3
SCHEMBL10197679 0.80 FAAH (0.44) FAAHMMP2MMP9MMP13HDAC8
SCHEMBL346576 0.79 GRIN2B (0.44) GHSRMMP2MMP9MMP13DRD3
SCHEMBL461008 0.78 ADRB1 (0.50) HDAC8ADRB3MEN1KMT2A
SCHEMBL460142 0.78 NPY5R (0.47) FAAHADRB3ACACB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20120015942-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 MCHR1 3260/4885GHSR 1236/4885MCL1 823/4885

“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.