SCHEMBL16169700

SCHEMBL16169700

CCCCOc1cc(-c2ccc3sc4ccc(-c5cc(OCCCN)c(OCCCN)c(OCCCN)c5)cc4c3c2)cc(OCCCN)c1OCCCN

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 2/20 0.39
▸ PIM2 Q9P1W9 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ GLA P06280 1/20 0.36
▸ BCHE P06276 2/20 0.34
▸ ACHE P22303 2/20 0.34
▸ MAPT P10636 3/20 0.34
▸ LMNA P02545 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ CDC7 O00311 1/20 0.34
▸ ROCK2 O75116 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ PRKACA P17612 1/20 0.34
▸ CDK2 P24941 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ HIPK2 Q9H2X6 1/20 0.34
▸ CLK4 Q9HAZ1 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
SCHEMBL16169699 0.94 PIM1 (0.40) PIM1PIM2SMN1; SMN2GLAMAPT
SCHEMBL15805960 0.87 PIM1 (0.39) PIM1PIM2CDC7ROCK2MAP4K4
SCHEMBL16169704 0.84 PIM1 (0.44) PIM1PIM2SMN1; SMN2MAPTLMNA
SCHEMBL16419754 0.81 BCHE (0.40) PIM1SMN1; SMN2GLABCHEACHE
SCHEMBL16419762 0.77 CYP1A2 (0.45) PIM1SMN1; SMN2GLABCHEACHE
SCHEMBL15805864 0.76 PIM1 (0.43) PIM1PIM2CDC7ROCK2MAP4K4
SCHEMBL16169703 0.75 PIM1 (0.33) PIM1PIM2
SCHEMBL16419784 0.73 HTR1B (0.40) SMN1; SMN2MAPTALDH1A1KDM4EHTR1B
SCHEMBL16169705 0.72 F9 (0.32) MAPT
SCHEMBL10198627 0.71 HTR2A (0.44) SMN1; SMN2RAB9AKDM4EHSD17B10NPC1

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 PIM1 1725/4885PIM2 2729/4885SMN1; SMN2 3729/4885

“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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