SCHEMBL4387544

SCHEMBL4387544

CCc1c(OCc2ccccc2)cc(OCc2ccccc2)c(-c2ccccc2)c1Cc1nn(CCOC2CCCCO2)c(=O)o1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
P2RX3 P56373 2/20 0.32
MAOB P27338 2/20 0.31
MET P08581 2/20 0.31
TRPA1 O75762 1/20 0.31
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
PTGER1 P34995 1/20 0.31

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
SCHEMBL4386011 0.90 KDM4C (0.34) KDM4CHTR2CSLC6A4P2RX3MAOB
SCHEMBL4380795 0.84 FAAH (0.38) MAOBTRPA1
SCHEMBL4388883 0.82 MAOB (0.37) MAOBTRPA1
SCHEMBL4384187 0.79 FAAH (0.36) MAOBTRPA1
SCHEMBL4380922 0.75 FAAH (0.41)
SCHEMBL4388215 0.74 FAAH (0.38) MAOBTRPA1
SCHEMBL4396313 0.71 MAOB (0.38) MAOBTRPA1PTGER1
SCHEMBL4385036 0.71 KDM4C (0.36) KDM4C
SCHEMBL4389473 0.70 KDM4C (0.40) KDM4CADORA3
SCHEMBL4389550 0.70 KDM4C (0.40) KDM4CADORA3MET

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 EP 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 (1 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P KDM4C 4309/4885ADORA3 3728/4885HTR2C 3641/4885

“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.