SCHEMBL461537

SCHEMBL461537

CCOc1cccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
ADRB3 P13945 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
HDAC1 Q13547 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
GHSR Q92847 1/20 0.41
FAAH O00519 2/20 0.41
HDAC4 P56524 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
DHODH Q02127 2/20 0.40
SLC5A1 P13866 2/20 0.40
HPGD P15428 1/20 0.40
RAB9A P51151 1/20 0.40
ICMT O60725 1/20 0.40
FFAR1 O14842 1/20 0.40
IDH1 O75874 1/20 0.40

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
SCHEMBL10197736 0.88 HDAC1 (0.53) HDAC1HDAC2HDAC8CA1CA2
SCHEMBL346632 0.87 KDM4E (0.44) ADRB3HDAC1HDAC2HDAC8GHSR
SCHEMBL461680 0.86 HDAC4 (0.58) CA1CA2FAAHHDAC4
SCHEMBL10265404 0.85 SLC5A1 (0.40) ADRB3HDAC1HDAC2HDAC8FAAH
SCHEMBL459845 0.81 FAAH (0.49) ADRB3HDAC1HDAC2HDAC8GHSR
SCHEMBL10260016 0.81 FAAH (0.51) ADRB3HDAC1HDAC2HDAC8GHSR
SCHEMBL459626 0.80 MTNR1A (0.50) CA1CA2FAAHRAB9A
SCHEMBL346051 0.79 CA1 (0.47) ADRB3HDAC8CA1CA2FAAH
SCHEMBL437694 0.78 GSK3B (0.47) HDAC1HDAC2HDAC8GHSRFAAH
SCHEMBL10197667 0.78 GRIA2 (0.53) HDAC1GHSR

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 RXRA 460/4885RXRB 207/4885ADRB3 2139/4885

“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.