SCHEMBL10247441

SCHEMBL10247441

COC(=O)c1ccc2c(c1)C1CCC2C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARG P13631 2/20 0.52
RARB P10826 1/20 0.52
CHRNB2 P17787 2/20 0.50
CHRNA4 P43681 2/20 0.50
CHRNA1 P02708 1/20 0.50
CHRNG P07510 1/20 0.50
CHRNB1 P11230 1/20 0.50
CHRNB4 P30926 1/20 0.50
CHRNA3 P32297 1/20 0.50
CHRND Q07001 1/20 0.50
SLC6A3 Q01959 8/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A4 P31645 1/20 0.48
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47

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
SCHEMBL10486398 0.86 SLC6A3 (0.53) RARGRARBCHRNB2CHRNA4SLC6A3
SCHEMBL10932919 0.81 CHRNB2 (0.73) RARGRARBCHRNB2CHRNA4CHRNA1
SCHEMBL2502725 0.80 SLC6A3 (0.48) CHRNB2CHRNA4SLC6A3SLC6A2SLC6A4
SCHEMBL31430582 0.80 CA1 (0.61) CHRNB2CHRNA4SLC6A3SLC6A2SLC6A4
SCHEMBL10215462 0.79 SLC6A2 (0.56) CHRNB2CHRNA4SLC6A3SLC6A2SLC6A4
SCHEMBL11152269 0.79 SLC6A2 (0.56) CHRNB2CHRNA4SLC6A3SLC6A2SLC6A4
SCHEMBL1422581 0.79 RARG (0.66) RARGRARBCHRNB2CHRNA4CHRNA1
SCHEMBL1782039 0.79 RARG (0.66) RARGRARBCHRNB2CHRNA4CHRNA1
SCHEMBL1782019 0.79 RARG (0.66) RARGRARBCHRNB2CHRNA4CHRNA1
SCHEMBL19899909 0.79 KDM4E (0.54) CHRNB2CHRNA4SLC6A3SLC6A2SLC6A4

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
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-08-28 US disclosed
US-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF MILLENNIUM PHARMACUTICALS, 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-20120015943-A1 SUBSTITUTED HYDROXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, HDAC2 RARG 1364/4885RARB 432/4885CHRNB2 1972/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 RARG 2180/4885RARB 770/4885CHRNB2 2107/4885

“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.