SCHEMBL4380795

SCHEMBL4380795

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.38
MGLL Q99685 2/20 0.38
MAOB P27338 2/20 0.36
TRPA1 O75762 1/20 0.36
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
MAPK14 Q16539 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CYP2C9 P11712 2/20 0.35
HPGD P15428 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34

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
SCHEMBL4384187 0.93 FAAH (0.36) FAAHMGLLMAOBTRPA1MTNR1A
SCHEMBL4388883 0.90 MAOB (0.37) FAAHMGLLMAOBTRPA1MAPK14
SCHEMBL4388215 0.88 FAAH (0.38) FAAHMGLLMAOBTRPA1MTNR1A
SCHEMBL4387544 0.84 KDM4C (0.33) MAOBTRPA1
SCHEMBL4380922 0.84 FAAH (0.41) FAAHMGLLMTNR1AMTNR1BSMN1; SMN2
SCHEMBL4394356 0.81 NLRP3 (0.36) FAAHMGLLTRPA1MTNR1AMTNR1B
SCHEMBL4396313 0.78 MAOB (0.38) FAAHMGLLMAOBTRPA1MAPK14
SCHEMBL4384028 0.77 NOTUM (0.42) MAPK14GSK3BCDK5CDK5R1
SCHEMBL4386011 0.73 KDM4C (0.34) FAAHMGLLMAOBMAPK14MEN1
SCHEMBL4392076 0.71 PTGER1 (0.46) HPGD

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 FAAH 3872/4885MGLL 4472/4885MAOB 3920/4885

“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.