SCHEMBL4396290

SCHEMBL4396290

CCc1c(OC(=O)N2CCN(C)CC2)cc(O)c(-c2ccccc2)c1CCOCCOC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
ADORA2A P29274 1/20 0.37
ADORA1 P30542 1/20 0.37
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
ITGB1 P05556 1/20 0.35
ITGA4 P13612 1/20 0.35
ITGB7 P26010 1/20 0.35
KDM4E B2RXH2 3/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MMP8 P22894 1/20 0.34
MMP13 P45452 1/20 0.34
GAA P10253 1/20 0.33

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
SCHEMBL4389593 0.76 PDE4A (0.36) ADORA2AADORA1KDM4EPOLBALDH1A1
SCHEMBL4390309 0.74 NCEH1 (0.43) ALDH1A1LMNAMEN1KMT2ANPC1
SCHEMBL4386586 0.74 ADORA3 (0.37) KDM4EALDH1A1LMNAMAPTGAA
SCHEMBL4377955 0.70 CNR2 (0.38) POLBGAATP53MEN1KMT2A
SCHEMBL4379851 0.70 CNR2 (0.38) POLBMEN1KMT2A
SCHEMBL4392537 0.69 HK2 (0.39) KDM4EPOLBALDH1A1LMNAMAPT
SCHEMBL4387542 0.69 ESR1 (0.41) KDM4EPOLBTP53
SCHEMBL4382068 0.68 EGFR (0.35) TP53MEN1KMT2A
SCHEMBL4385095 0.68 ESR1 (0.36) ALDH1A1MAPT
SCHEMBL4386231 0.68 ESR1 (0.38) KDM4EPOLBTP53

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 HRH3 1459/4885ADORA2A 3962/4885ADORA1 3228/4885

“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.