SCHEMBL460142

SCHEMBL460142

CC(C)Oc1ccc(-c2ccc3c(c2)CC(C(=O)NO)CC3)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.47
ABL1 P00519 1/20 0.41
ADCY8 P40145 1/20 0.41
ADCY1 Q08828 1/20 0.41
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
NQO2 P16083 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
ACACB O00763 4/20 0.39
FAAH O00519 2/20 0.38
ACHE P22303 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
ACACA Q13085 1/20 0.38
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
RXRA P19793 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
SCHEMBL459626 0.88 MTNR1A (0.50) NPY5RMTNR1AMTNR1BFAAHACHE
SCHEMBL10265076 0.84 ABL1 (0.41) ABL1MTNR1AMTNR1BACACBFAAH
SCHEMBL436970 0.81 MTNR1A (0.49) ABL1MTNR1AMTNR1BACHESMN1; SMN2
SCHEMBL10265156 0.81 ABL1 (0.40) ABL1ADRB1ADRB3FAAHSMN1; SMN2
SCHEMBL10260016 0.81 FAAH (0.51) ADRB1ADRB3FAAH
SCHEMBL435688 0.80 ADRB3 (0.47) NPY5RADRB1ADRB3FAAH
SCHEMBL10259284 0.80 FFAR4 (0.43) FAAH
SCHEMBL436855 0.80 GHSR (0.46) ADRB3FAAHACHE
SCHEMBL10264831 0.80 ABL1 (0.45) ABL1ADRB1ADRB3
SCHEMBL459845 0.79 FAAH (0.49) ADRB1ADRB3FAAH

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 2 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
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 NPY5R 1024/4885ABL1 639/4885ADCY8 1895/4885

“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.