SCHEMBL753398

SCHEMBL753398

c1ccc(-c2ccc3sc4c5cc6sc7c8cc(-c9ccccc9)ccc8sc7c6cc5sc4c3c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 2/20 0.54
▸ PIM3 Q86V86 3/20 0.45
▸ PIM1 P11309 4/20 0.43
▸ PIM2 Q9P1W9 3/20 0.43
▸ ROCK1 Q13464 1/20 0.40
▸ F9 P00740 2/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ PI4KA P42356 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ TNKS O95271 1/20 0.39
▸ TNKS2 Q9H2K2 1/20 0.39
▸ ALOX5 P09917 2/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ TRIM58 Q8NG06 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36

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
SCHEMBL24619638 1.00 LIMK1 (0.54) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL17037070 0.96 LIMK1 (0.57) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL18470313 0.92 LIMK1 (0.51) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL18470300 0.92 LIMK1 (0.51) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL16978730 0.91 LIMK1 (0.50) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL17037067 0.90 LIMK1 (0.53) LIMK1PIM3PIM1PIM2ROCK1
SCHEMBL753413 0.88 LIMK1 (0.54) LIMK1F9PIK3CAPI4KAPI4KB
SCHEMBL24619537 0.88 LIMK1 (0.54) LIMK1F9PIK3CAPI4KAPI4KB
SCHEMBL755297 0.88 LIMK1 (0.54) LIMK1F9PIK3CAPI4KAPI4KB
SCHEMBL1635659 0.88 LIMK1 (0.54) LIMK1PIM3PIM1PIM2ROCK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 — — US disclosed
US-8138355-B2 Heteroacene derivative, tetrahaloterphenyl derivative, and processes for producing the same TOSOH CORPORATION (JP) 2012-03-20 — — US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 — — US disclosed
US-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME TOSOH CORPORATION (JP) 2009-10-22 — — 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-20090261300-A1 HETEROACENE DERIVATIVE, TETRAHALOTERPHENYL DERIVATIVE, AND PROCESSES FOR PRODUCING THE SAME AS3MT, TERT, TEAD1 LIMK1 823/4885PIM3 2924/4885PIM1 2507/4885

“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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