SCHEMBL10197878

SCHEMBL10197878

O=C(NOC1CCCCO1)C1CCc2ccccc2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.42
GHSR Q92847 1/20 0.42
FAAH O00519 4/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CCNA1 P78396 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
F2 P00734 1/20 0.39
GBA1 P04062 1/20 0.37
MTNR1A P48039 1/20 0.37
MTNR1B P49286 1/20 0.37
EPHX2 P34913 3/20 0.37
NPY5R Q15761 2/20 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
SCHEMBL10197981 0.84 EPHX2 (0.53) MTNR1AMTNR1BEPHX2
SCHEMBL345403 0.83 CA1 (0.45) FAAHMTNR1AMTNR1B
SCHEMBL346771 0.79 RAF1 (0.43) FAAH
SCHEMBL29586783 0.79 HDAC3 (0.44) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL29586900 0.79 HDAC3 (0.44) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL346293 0.77 RAF1 (0.46) FAAH
SCHEMBL346561 0.75 BRAF (0.58)
SCHEMBL1081931 0.74 TSHR (0.48)
SCHEMBL29586767 0.74 CCNA2 (0.35) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL6584064 0.72 P2RX7 (0.53) P2RX7GHSRFAAHF2MTNR1A

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 4 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
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 P2RX7 3461/4885GHSR 1236/4885FAAH 1791/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 P2RX7 1148/4885GHSR 2184/4885FAAH 651/4885

“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.