SCHEMBL16169683

SCHEMBL16169683

CCCCOc1cc(OCCCN)cc(-c2cc(OCCCN)cc(OCCCN)c2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLA2G2A P14555 1/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP2D6 P10635 2/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ TSHR P16473 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 1/20 0.42
▸ CA2 P00918 1/20 0.42
▸ CA7 P43166 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ LTA4H P09960 2/20 0.41
▸ AHR P35869 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HTR1A P08908 1/20 0.40
▸ HTR1D P28221 1/20 0.40
▸ HTR1B P28222 1/20 0.40
▸ NR5A1 Q13285 1/20 0.40
▸ CYP1A2 P05177 2/20 0.40

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
SCHEMBL18020389 0.94 PLA2G2A (0.47) PLA2G2ACYP3A4CYP2D6RAB9AKDM4E
SCHEMBL16169670 0.91 CYP1A2 (0.38) PLA2G2ACYP3A4CYP2D6RAB9AKDM4E
SCHEMBL16169673 0.91 NOS3 (0.42) PLA2G2ACYP3A4CYP2D6RAB9AKDM4E
SCHEMBL16169687 0.90 SMN1; SMN2 (0.48) CYP3A4CYP2D6TSHRLTA4HSMN1; SMN2
SCHEMBL16419737 0.90 SMN1; SMN2 (0.48) CYP3A4CYP2D6TSHRLTA4HSMN1; SMN2
SCHEMBL16172408 0.89 CSF3R (0.40) PLA2G2ALTA4HHTR1B
SCHEMBL16419742 0.88 LTA4H (0.49) PLA2G2ACYP3A4CYP2D6RAB9ALTA4H
SCHEMBL16419735 0.87 CYP2D6 (0.45) CYP3A4CYP2D6RAB9AKDM4ENPC1
SCHEMBL16419743 0.87 CHRNB2 (0.43) CYP3A4CYP2D6RAB9AKDM4ENPC1
SCHEMBL16169676 0.86 RXRA (0.40) PLA2G2ACYP3A4CYP2D6RAB9AKDM4E

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 PLA2G2A 3004/4885CYP3A4 3480/4885CYP2D6 3113/4885

“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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