SCHEMBL346235

SCHEMBL346235

COC(=O)C1(C)CCc2ccc(OC)cc2C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
ADRA2A P08913 2/20 0.47
MTNR1A P48039 5/20 0.45
MTNR1B P49286 5/20 0.45
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
ACHE P22303 2/20 0.42
PRNP P04156 1/20 0.42
CXCR5 P32302 1/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
KDM1A O60341 1/20 0.41
POLA1 P09884 2/20 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
SCHEMBL8768170 0.87 ADRA2A (0.48) SMN1; SMN2ADRA2AMTNR1AMTNR1BCA1
SCHEMBL346945 0.86 ADRA2A (0.48) SMN1; SMN2ADRA2AMTNR1AMTNR1BCA1
SCHEMBL345064 0.84 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL345524 0.84 SOD1 (0.48) SMN1; SMN2CA1CA2ACHE
SCHEMBL3307587 0.82 SMN1; SMN2 (0.52) SMN1; SMN2ADRA2AMTNR1AMTNR1BCA1
SCHEMBL30834270 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ADRA2ANPC1POLBRAB9A
SCHEMBL19469587 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ADRA2AMTNR1AMTNR1BKDM1A
SCHEMBL20584777 0.78 SMN1; SMN2 (0.39) SMN1; SMN2ADRA2ANPC1POLBRAB9A
SCHEMBL19469584 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ADRA2AMTNR1AMTNR1BKDM1A
SCHEMBL19469633 0.78 SMN1; SMN2 (0.69) SMN1; SMN2ADRA2AMTNR1AMTNR1BKDM1A

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 SMN1; SMN2 567/4885ADRA2A 1340/4885MTNR1A 1579/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 SMN1; SMN2 1515/4885ADRA2A 642/4885MTNR1A 1442/4885

“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.