SCHEMBL3592575

SCHEMBL3592575

[c]1ccc(OCc2ccccc2)c2c1CCCC2

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXRB P28702 8/20 0.43
RXRA P19793 8/20 0.43
RXRG P48443 6/20 0.43
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
BRD4 O60885 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
MAOB P27338 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38
LIPE Q05469 1/20 0.37

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
SCHEMBL3841406 0.92 RXRB (0.41) RXRBRXRARXRGPPARGPPARD
SCHEMBL5833502 0.75 RXRA (0.49) RXRBRXRARXRGPPARGPPARD
SCHEMBL3841409 0.74 RXRB (0.41) RXRBRXRARXRGPPARGPPARD
SCHEMBL3372724 0.73 RXRB (0.72) RXRBRXRARXRGTDP1L3MBTL1
SCHEMBL25732360 0.72 RXRB (0.49) RXRBRXRARXRGPPARGPPARD
SCHEMBL5546557 0.71 BRD4 (0.46) TDP1L3MBTL1BRD4MAPTMAPK1
SCHEMBL16397981 0.70 RXRB (0.72) RXRBRXRARXRGTDP1L3MBTL1
SCHEMBL10853603 0.70 MAOB (0.55) RXRBRXRARXRGMAOB
SCHEMBL1356087 0.69 LIPE (0.58) RXRBRXRARXRGPPARGPPARD
SCHEMBL3371584 0.69 RXRB (0.49) RXRBRXRARXRGPPARGPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100190787-A1 Modulators of Mitotic Kinases BIOGEN IDEC MA INC 2010-07-29 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 (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-20100190787-A1 Modulators of Mitotic Kinases CDK1, BUB1, BUB1B RXRB 4708/4885RXRA 4781/4885RXRG 4746/4885

“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.