SCHEMBL345524

SCHEMBL345524

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SOD1 P00441 1/20 0.48
LMNA P02545 2/20 0.45
CYP3A4 P08684 2/20 0.45
ALDH1A1 P00352 1/20 0.45
ESR2 Q92731 8/20 0.44
ESR1 P03372 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.39
NR1H2 P55055 3/20 0.39
NR1H3 Q13133 3/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
ACHE P22303 1/20 0.37
TACR1 P25103 1/20 0.36
TACR3 P29371 1/20 0.36
OPRD1 P41143 1/20 0.36
MEN1 O00255 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
BRCA1 P38398 1/20 0.36
RECQL P46063 1/20 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
SCHEMBL346235 0.84 SMN1; SMN2 (0.56) SMN1; SMN2CA1CA2ACHE
SCHEMBL345843 0.83 ALDH1A1 (0.44) SOD1LMNACYP3A4ALDH1A1ESR2
SCHEMBL345064 0.80 SMN1; SMN2 (0.42) SMN1; SMN2
SCHEMBL30834270 0.79 SMN1; SMN2 (0.39) SOD1CYP3A4ALDH1A1SMN1; SMN2TACR1
SCHEMBL20584777 0.79 SMN1; SMN2 (0.39) SOD1CYP3A4ALDH1A1SMN1; SMN2TACR1
SCHEMBL10913109 0.77 SOD1 (0.45) SOD1LMNACYP3A4ALDH1A1ESR2
SCHEMBL26129956 0.76 GHSR (0.47) SOD1LMNACYP3A4ALDH1A1ESR2
SCHEMBL31232553 0.76 GHSR (0.47) SOD1LMNACYP3A4ALDH1A1ESR2
SCHEMBL13692525 0.76 SMN1; SMN2 (0.50) SOD1LMNACYP3A4ALDH1A1ESR2
Hydrochloric Acid SCHEMBL10912650 0.75 SOD1 (0.44) SOD1LMNACYP3A4ALDH1A1ESR2

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 SOD1 1777/4885LMNA 1395/4885CYP3A4 3732/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 SOD1 1302/4885LMNA 2133/4885CYP3A4 2476/4885

“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.