SCHEMBL16169690

SCHEMBL16169690

CCCCOc1cc(OCCCN)cc(-c2ccc(C(F)(F)c3ccc(-c4cc(OCCCN)cc(OCCCN)c4)cc3)cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 6/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ CYP19A1 P11511 6/20 0.39
▸ CYP2C9 P11712 6/20 0.39
▸ CYP2C19 P33261 6/20 0.39
▸ CYP1A2 P05177 5/20 0.39
▸ RARB P10826 4/20 0.39
▸ RARA P10276 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PDK2 Q15119 1/20 0.37
▸ CSF3R Q99062 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ATP4A P20648 1/20 0.36
▸ ATP4B P51164 1/20 0.36

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
SCHEMBL16169754 0.93 PDK2 (0.38) PDK2CSF3RRXRARXRBRXRG
SCHEMBL16419745 0.86 CYP2D6 (0.42) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL16169683 0.83 PLA2G2A (0.43) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL15274996 0.83 RXRA (0.40) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL16169676 0.83 RXRA (0.40) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL16419735 0.81 CYP2D6 (0.45) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL16169744 0.81 RXRA (0.39) CYP19A1CYP2C9CYP2C19CYP1A2KDM4E
SCHEMBL16419742 0.80 LTA4H (0.49) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19
SCHEMBL16419790 0.80 HRH3 (0.39) KDM4ENPC1RAB9ACSF3R
SCHEMBL16169670 0.79 CYP1A2 (0.38) CYP2D6CYP3A4CYP19A1CYP2C9CYP2C19

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 CYP2D6 3113/4885CYP3A4 3480/4885CYP19A1 4661/4885

“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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