SCHEMBL345757

SCHEMBL345757

COC(=O)C1CCc2ccc(Oc3cccc(OCCN(C)C)c3)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.47
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
FAAH O00519 9/20 0.46
PPARD Q03181 1/20 0.42
LMNA P02545 1/20 0.42
ACHE P22303 2/20 0.42
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
ADRB3 P13945 1/20 0.42
RAF1 P04049 1/20 0.41
BRAF P15056 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL346881 0.93 ACHE (0.47) KDM4EALDH1A1FAAHPPARDACHE
SCHEMBL346175 0.89 KDM4E (0.46) KDM4EALDH1A1SMN1; SMN2FAAHPPARD
SCHEMBL346465 0.88 KDM4E (0.42) KDM4EALDH1A1FAAHLMNACHRNB2
SCHEMBL346315 0.83 FAAH (0.58) FAAH
SCHEMBL346783 0.81 ACHE (0.47) KDM4EALDH1A1LMNAACHERAF1
SCHEMBL346892 0.81 FAAH (0.52) FAAHACHECA1CA2
SCHEMBL10197924 0.80 KDM4E (0.42) KDM4EALDH1A1SMN1; SMN2FAAHLMNA
SCHEMBL459605 0.80 FAAH (0.51) FAAHACHEADRB3CA1CA2
Hydrochloric Acid SCHEMBL345735 0.79 FAAH (0.50) FAAHACHEADRB3CA1CA2
SCHEMBL346632 0.77 KDM4E (0.44) KDM4EALDH1A1FAAHLMNACHRNB2

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

“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.