SCHEMBL16172527

SCHEMBL16172527

NCCCOc1cc(OCCCN)cc(-c2cc(-c3cc(-c4cc(OCCCN)cc(OCCCN)c4)cc(C(F)(F)F)c3)cc(C(F)(F)F)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.39
▸ RXRB P28702 2/20 0.39
▸ RXRG P48443 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PDK2 Q15119 1/20 0.37
▸ AURKA O14965 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.35
▸ IDO1 P14902 2/20 0.34
▸ CSF3R Q99062 1/20 0.34
▸ ICMT O60725 1/20 0.34
▸ MAOB P27338 2/20 0.33
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2B Q13224 2/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HRH4 Q9H3N8 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
SCHEMBL15138990 1.00 RXRA (0.39) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL16421566 0.98 RXRA (0.38) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL16172491 0.97 RXRA (0.37) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL15274996 0.92 RXRA (0.40) RXRARXRBRXRGPDK2
SCHEMBL15139162 0.92 RXRA (0.40) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL16169676 0.92 RXRA (0.40) RXRARXRBRXRGPDK2
SCHEMBL16419780 0.91 NOS3 (0.38) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL16169744 0.90 RXRA (0.39) RXRARXRBRXRGPDK2
SCHEMBL16419739 0.86 RXRA (0.37) RXRARXRBRXRGPDK2
SCHEMBL31655411 0.85 GPR84 (0.44) ALDH1A1MAPTPDK2AURKARPS6KB1

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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same CELLCEUTIX CORPORATION (US) 2014-10-16 — — 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-20140308317-A1 Polymeric Compounds And Methods Of Making And Using The Same ALG1, CD44, MUC1 RXRA 2594/4885RXRB 3039/4885RXRG 1815/4885

“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.

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