SCHEMBL345330

SCHEMBL345330

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

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.81
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46
METAP1 P53582 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK14 Q16539 3/20 0.43
MAOB P27338 1/20 0.42
MTNR1A P48039 4/20 0.42
MTNR1B P49286 4/20 0.42
NQO2 P16083 2/20 0.42
CYP19A1 P11511 1/20 0.41
PRNP P04156 1/20 0.41
ACHE P22303 1/20 0.40
MAPT P10636 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
SCHEMBL27188923 0.86 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL13254665 0.85 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EMETAP1CA1CA2
SCHEMBL19469587 0.82 SMN1; SMN2 (0.69) SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL19469584 0.82 SMN1; SMN2 (0.69) SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL19469633 0.82 SMN1; SMN2 (0.69) SMN1; SMN2LMNAMTNR1AMTNR1B
SCHEMBL2819403 0.80 SMN1; SMN2 (0.51) SMN1; SMN2ALDH1A1LMNAMETAP1CA1
SCHEMBL28351697 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EALDH1A1METAP1CA1
SCHEMBL9533276 0.77 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EALDH1A1LMNAHPGD
SCHEMBL14409344 0.77 HTR2A (0.53) SMN1; SMN2ALDH1A1LMNAMETAP1CA1
SCHEMBL7302991 0.76 DGAT1 (0.56) SMN1; SMN2METAP1CA1CA2CA4

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 567/4885KDM4E 729/4885ALDH1A1 559/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 SMN1; SMN2 1515/4885KDM4E 572/4885ALDH1A1 185/4885

“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.