SCHEMBL16169673

SCHEMBL16169673

CCCCOc1cc(OCCCN)cc(-c2cc(C)cc(-c3cc(C)cc(-c4cc(OCCCN)cc(OCCCN)c4)c3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.42
▸ NOS1 P29475 1/20 0.42
▸ NOS2 P35228 1/20 0.42
▸ PLA2G2A P14555 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP19A1 P11511 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP2D6 P10635 2/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ CA1 P00915 1/20 0.37
▸ CA2 P00918 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ CA7 P43166 1/20 0.37
▸ CA9 Q16790 1/20 0.37

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
SCHEMBL16172499 0.93 NOS3 (0.46) NOS3NOS1NOS2KDM4EF2
SCHEMBL16169683 0.91 PLA2G2A (0.43) PLA2G2ACYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL16419735 0.89 CYP2D6 (0.45) NOS3NOS1NOS2CYP1A2CYP19A1
SCHEMBL16419739 0.88 RXRA (0.37) NOS3NOS1NOS2PLA2G2ACYP1A2
SCHEMBL16169670 0.87 CYP1A2 (0.38) PLA2G2ACYP1A2CYP19A1CYP2C9CYP2C19
SCHEMBL18020389 0.86 PLA2G2A (0.47) PLA2G2ACYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL15805868 0.85 NOS3 (0.41) NOS3NOS1NOS2CYP1A2KDM4E
SCHEMBL16419737 0.85 SMN1; SMN2 (0.48) NOS3NOS1NOS2CYP1A2CYP19A1
SCHEMBL16169687 0.85 SMN1; SMN2 (0.48) NOS3NOS1NOS2CYP1A2CYP19A1
SCHEMBL16419742 0.84 LTA4H (0.49) PLA2G2ACYP1A2CYP19A1CYP2C9CYP2C19

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 NOS3 1888/4885NOS1 2151/4885NOS2 2054/4885

“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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