SCHEMBL16169676

SCHEMBL16169676

CCCCOc1cc(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 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RXRA P19793 2/20 0.40
▸ RXRB P28702 2/20 0.40
▸ RXRG P48443 2/20 0.40
▸ FAAH O00519 2/20 0.36
▸ PDK2 Q15119 2/20 0.36
▸ CYP1A2 P05177 1/20 0.35
▸ CYP19A1 P11511 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ ATP4A P20648 2/20 0.35
▸ ATP4B P51164 2/20 0.35
▸ PLA2G2A P14555 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ PTGES O14684 1/20 0.34
▸ ALOX5 P09917 1/20 0.34

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
SCHEMBL15274996 1.00 RXRA (0.40) RXRARXRBRXRGFAAHPDK2
SCHEMBL16169744 0.97 RXRA (0.39) RXRARXRBRXRGFAAHPDK2
SCHEMBL15139162 0.94 RXRA (0.40) RXRARXRBRXRGPDK2KDM4E
SCHEMBL16419739 0.93 RXRA (0.37) RXRARXRBRXRGFAAHPDK2
SCHEMBL16172527 0.92 RXRA (0.39) RXRARXRBRXRGPDK2
SCHEMBL15138990 0.92 RXRA (0.39) RXRARXRBRXRGPDK2
SCHEMBL16421566 0.91 RXRA (0.38) RXRARXRBRXRGPDK2
SCHEMBL16172491 0.89 RXRA (0.37) RXRARXRBRXRGPDK2SMN1; SMN2
SCHEMBL16419780 0.87 NOS3 (0.38) RXRARXRBRXRGPDK2
SCHEMBL16169683 0.86 PLA2G2A (0.43) CYP1A2CYP19A1CYP2C9CYP2C19PLA2G2A

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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