SCHEMBL16419780

SCHEMBL16419780

Cc1cc(-c2cc(-c3cc(OCCCN)cc(OCCCN)c3)cc(-c3cc(OCCCN)cc(OCCCN)c3)c2)cc(C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.38
▸ NOS1 P29475 1/20 0.38
▸ NOS2 P35228 1/20 0.38
▸ RXRA P19793 2/20 0.37
▸ RXRB P28702 2/20 0.37
▸ RXRG P48443 2/20 0.37
▸ NOTUM Q6P988 1/20 0.35
▸ F2 P00734 4/20 0.33
▸ AURKA O14965 1/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ CSF3R Q99062 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ GRIN1 Q05586 1/20 0.32
▸ GRIN2B Q13224 1/20 0.32
▸ CHRNB1 P11230 1/20 0.31
▸ CHRNB2 P17787 1/20 0.31
▸ CHRNB4 P30926 1/20 0.31
▸ CHRNA3 P32297 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
SCHEMBL16419739 0.95 RXRA (0.37) NOS3NOS1NOS2RXRARXRB
SCHEMBL16172527 0.91 RXRA (0.39) RXRARXRBRXRGAURKARPS6KB1
SCHEMBL15138990 0.91 RXRA (0.39) RXRARXRBRXRGAURKARPS6KB1
SCHEMBL16421566 0.90 RXRA (0.38) RXRARXRBRXRGAURKARPS6KB1
SCHEMBL16172491 0.88 RXRA (0.37) RXRARXRBRXRGAURKARPS6KB1
SCHEMBL15139162 0.87 RXRA (0.40) RXRARXRBRXRGAURKARPS6KB1
SCHEMBL16169676 0.87 RXRA (0.40) RXRARXRBRXRGPDK2
SCHEMBL15274996 0.87 RXRA (0.40) RXRARXRBRXRGPDK2
SCHEMBL16172499 0.86 NOS3 (0.46) NOS3NOS1NOS2F2RPS6KB1
SCHEMBL16169744 0.84 RXRA (0.39) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 NOS3 2887/4885NOS1 2940/4885NOS2 2948/4885

“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.

Send feedback