SCHEMBL10242492

SCHEMBL10242492

OCc1cc(OCCCCNCl)cc(CO)n1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.40
MAPK1 P28482 1/20 0.40
ALOX15 P16050 1/20 0.40
CNR1 P21554 6/20 0.36
CNR2 P34972 6/20 0.36
GAA P10253 1/20 0.35
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP2D6 P10635 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KCNH2 Q12809 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
S1PR4 O95977 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PDE2A O00408 1/20 0.30
PDE3B Q13370 1/20 0.30
PDE3A Q14432 1/20 0.30
P2RY12 Q9H244 1/20 0.30

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
SCHEMBL2618732 0.95 CYP1A2 (0.37) TP53MAPK1ALOX15CNR1CNR2
SCHEMBL2618723 0.90 CYP1A2 (0.38) TP53MAPK1ALOX15CNR1CNR2
SCHEMBL2619098 0.84 TSHR (0.37) MAPK1CYP1A2POLBCYP2D6TSHR
SCHEMBL2619024 0.84 TSHR (0.37) MAPK1CYP1A2POLBCYP2D6TSHR
SCHEMBL14455056 0.83 L3MBTL1 (0.44) TP53MAPK1ALOX15CNR1CNR2
SCHEMBL16472477 0.79 PTGS2 (0.32) KDM4E
SCHEMBL2610731 0.78 HTR1B (0.49) POLBL3MBTL1KDM4E
SCHEMBL2610783 0.77 NOS3 (0.38) KCNH2
SCHEMBL2610786 0.75 NOS3 (0.39) KCNH2S1PR4
SCHEMBL1744467 0.73 CA12 (0.55) GAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163736-B2 Cytotoxic agents comprising new tomaymycin derivatives SANOFI-AVENTIS (FR) 2012-04-24 US disclosed
US-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives SANOFI-AVENTIS (FR) 2009-02-05 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-20090036431-A1 Cytotoxic Agents Comprising New Tomaymycin Derivatives TOMM70, TOMM34, TOMM40 TP53 122/4885MAPK1 3159/4885ALOX15 4230/4885

“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.