SCHEMBL10249977

SCHEMBL10249977

COC(=O)c1ccc2c(c1)CCC(c1ccc(C)cc1)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.47
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
HPGD P15428 3/20 0.42
HTT P42858 1/20 0.41
MCHR1 Q99705 2/20 0.41
ALDH1A1 P00352 5/20 0.40
MAPT P10636 4/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CYP2C9 P11712 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39

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
SCHEMBL354721 0.89 CA1 (0.49) CHRNB2CHRNA4MCHR1ALDH1A1MAPT
SCHEMBL10247072 0.85 HDAC8 (0.48) MCHR1
SCHEMBL353154 0.78 CHRNB2 (0.44) CHRNB2CHRNA4HPGDHTTALDH1A1
SCHEMBL353908 0.77 OPRK1 (0.54)
SCHEMBL354618 0.77 CHRNB2 (0.42) CHRNB2CHRNA4ALDH1A1MAPTKDM4E
SCHEMBL355341 0.77 CA1 (0.51) MCHR1
Hydrochloric Acid SCHEMBL353391 0.76 OPRK1 (0.53)
SCHEMBL29732553 0.76 FAAH (0.47) CHRNB2CHRNA4HPGDALDH1A1MAPT
SCHEMBL8880658 0.76 FAAH (0.47) CHRNB2CHRNA4HPGDALDH1A1MAPT
SCHEMBL2766220 0.76 FAAH (0.47) CHRNB2CHRNA4HPGDALDH1A1MAPT

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 TDP1 2786/4885CHRNB2 1972/4885CHRNA4 2816/4885
US-20140243335-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, HDAC1, H1-3 TDP1 2064/4885CHRNB2 2107/4885CHRNA4 3008/4885

“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.