SCHEMBL16169754

SCHEMBL16169754

NCCCOc1cc(OCCCN)cc(-c2ccc(C(F)(F)c3ccc(-c4cc(OCCCN)cc(OCCCN)c4)cc3)cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.38
▸ CSF3R Q99062 1/20 0.37
▸ RPS6KB1 P23443 2/20 0.37
▸ AURKA O14965 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ LTA4H P09960 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ HDAC1 Q13547 3/20 0.33
▸ HDAC2 Q92769 3/20 0.33
▸ CA12 O43570 2/20 0.33
▸ CA1 P00915 2/20 0.33
▸ CA2 P00918 2/20 0.33
▸ CA9 Q16790 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33
▸ PPARD Q03181 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
SCHEMBL16169690 0.93 CYP2D6 (0.42) PDK2CSF3RRXRARXRBRXRG
SCHEMBL16419790 0.83 HRH3 (0.39) CSF3RMAOBSMN1; SMN2
SCHEMBL16172408 0.80 CSF3R (0.40) PDK2CSF3RRPS6KB1LTA4HNOS3
SCHEMBL15138990 0.80 RXRA (0.39) PDK2CSF3RRPS6KB1AURKAMAOB
SCHEMBL16172527 0.80 RXRA (0.39) PDK2CSF3RRPS6KB1AURKAMAOB
SCHEMBL16421566 0.79 RXRA (0.38) PDK2CSF3RRPS6KB1AURKARXRA
SCHEMBL16419745 0.78 CYP2D6 (0.42) SMN1; SMN2
SCHEMBL16172491 0.77 RXRA (0.37) PDK2CSF3RRPS6KB1AURKARXRA
SCHEMBL16419791 0.77 NOS3 (0.43) CSF3RNOS3NOS1NOS2
SCHEMBL15036883 0.76 TAAR1 (0.48) LTA4H

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 2 patents. 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
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 PDK2 3190/4885CSF3R 1989/4885RPS6KB1 1137/4885

“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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