SCHEMBL4392485

SCHEMBL4392485

CCc1c(O)cc(O)c(-c2ccccc2)c1CCN1CCCC1CO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 5/20 0.46
SPHK2 Q9NRA0 4/20 0.46
HRH3 Q9Y5N1 4/20 0.41
DRD2 P14416 2/20 0.41
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.39
PDCD1 Q15116 3/20 0.39
CD274 Q9NZQ7 3/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38

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
SCHEMBL4388109 0.79 SPHK1 (0.48) SPHK1SPHK2HRH3CD274
SCHEMBL4394285 0.76 KCNA3 (0.40) SPHK1HRH3
SCHEMBL2987008 0.74 SPHK2 (0.52) SPHK1SPHK2HRH3PARP1HTR1D
SCHEMBL4387388 0.74 ESR1 (0.44)
SCHEMBL4386943 0.72 ESR1 (0.42)
SCHEMBL27627908 0.71 SPHK2 (0.66) SPHK1SPHK2HRH3
SCHEMBL4139443 0.71 HRH3 (0.68) SPHK1SPHK2HRH3PARP1HTR1D
SCHEMBL25687596 0.70 SPHK2 (0.43) SPHK1SPHK2HRH3DRD2HTR2A
SCHEMBL25685972 0.69 SPHK2 (0.56) SPHK1SPHK2HRH3PARP1
SCHEMBL4386612 0.69 ESR1 (0.40)

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 SPHK1 4843/4885SPHK2 4845/4885HRH3 1459/4885

“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.