SCHEMBL16169699

SCHEMBL16169699

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.40
▸ PIM2 Q9P1W9 1/20 0.40
▸ RAB9A P51151 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ CSF3R Q99062 1/20 0.34
▸ CYP1A2 P05177 4/20 0.33
▸ CYP2C9 P11712 3/20 0.33
▸ CYP2C19 P33261 3/20 0.33
▸ CYP19A1 P11511 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ CYP2D6 P10635 4/20 0.33
▸ CYP3A4 P08684 3/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ HCRTR1 O43613 1/20 0.32
▸ HTR1A P08908 4/20 0.32
▸ HTR1D P28221 4/20 0.32
▸ HTR1B P28222 4/20 0.32

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
SCHEMBL16169700 0.94 PIM1 (0.39) PIM1PIM2RAB9AMAPTLMNA
SCHEMBL15805960 0.94 PIM1 (0.39) PIM1PIM2CSF3RHCRTR1HTR1B
SCHEMBL16169704 0.92 PIM1 (0.44) PIM1PIM2RAB9AMAPTLMNA
SCHEMBL15805864 0.85 PIM1 (0.43) PIM1PIM2CSF3RHCRTR1HTR1B
SCHEMBL16169703 0.81 PIM1 (0.33) PIM1PIM2CSF3R
SCHEMBL16419754 0.76 BCHE (0.40) PIM1RAB9AMAPTSMN1; SMN2CYP1A2
SCHEMBL16169683 0.75 PLA2G2A (0.43) RAB9ASMN1; SMN2CYP1A2CYP2C9CYP2C19
SCHEMBL16419743 0.73 CHRNB2 (0.43) RAB9AMAPTLMNASMN1; SMN2CSF3R
SCHEMBL16419737 0.73 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP19A1
SCHEMBL16169687 0.73 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2C9CYP2C19CYP19A1

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 2729/4885RAB9A 3646/4885

“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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