SCHEMBL345640

SCHEMBL345640

COC(=O)C1CCc2cc(Nc3ccc(OC)cc3)ccc2C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
POLB P06746 1/20 0.49
MCHR1 Q99705 1/20 0.47
CA1 P00915 3/20 0.47
CA2 P00918 3/20 0.47
ACHE P22303 3/20 0.47
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
FAAH O00519 2/20 0.44
MAPK14 Q16539 1/20 0.44
ALDH1A1 P00352 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
THRB P10828 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL8066286 0.88 CA1 (0.59) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8076218 0.88 CA1 (0.59) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8603697 0.88 CA1 (0.59) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL346412 0.88 MTNR1A (0.47) NPC1RAB9APOLBMCHR1CA1
SCHEMBL346400 0.82 ACVRL1 (0.45) NPC1RAB9APOLBCA1CA2
SCHEMBL8606735 0.82 MTNR1A (0.63) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL545767 0.82 MTNR1A (0.63) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL8074296 0.82 MTNR1A (0.63) CA1CA2ACHEMTNR1AMTNR1B
SCHEMBL346340 0.81 NPC1 (0.52) NPC1RAB9APOLBMCHR1MTNR1A
SCHEMBL7280750 0.79 FAAH (0.48) CA1CA2ACHEMTNR1AMTNR1B

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 NPC1 2892/4885RAB9A 1979/4885POLB 422/4885
US-20140243334-A1 SUBSTITUTED HYDOXAMIC ACIDS AND USES THEREOF HDAC6, H1-3, H1-5 NPC1 3030/4885RAB9A 939/4885POLB 648/4885

“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.