SCHEMBL16419739

SCHEMBL16419739

CCCCOc1cc(OCCCN)cc(-c2cc(-c3cc(OCCCN)cc(OCCCN)c3)cc(-c3cc(C)cc(C(F)(F)F)c3)c2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37
▸ RXRG P48443 1/20 0.37
▸ NOS3 P29474 1/20 0.35
▸ NOS1 P29475 1/20 0.35
▸ NOS2 P35228 1/20 0.35
▸ PDE2A O00408 2/20 0.33
▸ FAAH O00519 2/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ NOTUM Q6P988 1/20 0.33
▸ ATP4A P20648 1/20 0.32
▸ ATP4B P51164 1/20 0.32
▸ CYP1A2 P05177 3/20 0.32
▸ CYP19A1 P11511 3/20 0.32
▸ CYP2C9 P11712 3/20 0.32
▸ CYP2C19 P33261 3/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ PLA2G2A P14555 1/20 0.31
▸ PTGES O14684 1/20 0.31

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
SCHEMBL16419780 0.95 NOS3 (0.38) RXRARXRBRXRGNOS3NOS1
SCHEMBL16169676 0.93 RXRA (0.40) RXRARXRBRXRGPDE2AFAAH
SCHEMBL15274996 0.93 RXRA (0.40) RXRARXRBRXRGPDE2AFAAH
SCHEMBL16169744 0.91 RXRA (0.39) RXRARXRBRXRGPDE2AFAAH
SCHEMBL15139162 0.88 RXRA (0.40) RXRARXRBRXRGPDK2
SCHEMBL16169673 0.88 NOS3 (0.42) NOS3NOS1NOS2CYP1A2CYP19A1
SCHEMBL15138990 0.86 RXRA (0.39) RXRARXRBRXRGPDK2
SCHEMBL16172527 0.86 RXRA (0.39) RXRARXRBRXRGPDK2
SCHEMBL16421566 0.85 RXRA (0.38) RXRARXRBRXRGPDK2
SCHEMBL16172491 0.83 RXRA (0.37) RXRARXRBRXRGPDK2

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-9469616-B2 Cyclic compounds and methods of making and using the same CELLCEUTIX CORPORATION (US) 2016-10-18 — — US disclosed
US-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME UNIVERSITY OF MASSACHUSETTS (US) 2015-01-29 — — 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-20150031738-A1 CYCLIC COMPOUNDS AND METHODS OF MAKING AND USING THE SAME MUC1, TLR3, ALG1 RXRA 1101/4885RXRB 1662/4885RXRG 870/4885

“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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