SCHEMBL752678

SCHEMBL752678

Cc1ccc(-p2c3cc4c5sc6cc(-c7ccc(-c8ccccc8)cc7)ccc6c5p(-c5ccc(C)cc5)c4cc3c3sc4cc(-c5ccc(-c6ccccc6)cc5)ccc4c32)cc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LIMK1 P53667 10/20 0.40
▸ PIK3CG P48736 1/20 0.32
▸ ESR1 P03372 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ CASP3 P42574 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ SENP8 Q96LD8 1/20 0.32
▸ SENP7 Q9BQF6 1/20 0.32
▸ SENP6 Q9GZR1 1/20 0.32
▸ PIK3CA P42336 1/20 0.32
▸ PI4KA P42356 1/20 0.32
▸ PI4KB Q9UBF8 1/20 0.32
▸ TNKS2 Q9H2K2 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ FLT3 P36888 1/20 0.31
▸ HPRT1 P00492 1/20 0.31

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
SCHEMBL753643 0.83 MAPT (0.39) NPC1CASP3RAB9ATNKS2MEN1
SCHEMBL18470279 0.80 LIMK1 (0.50) LIMK1NPC1CASP3RAB9ASENP8
SCHEMBL754869 0.77 MCL1 (0.33) NPC1CASP3RAB9ASENP8SENP7
SCHEMBL17037076 0.75 LIMK1 (0.49) LIMK1NPC1CASP3RAB9ASENP8
SCHEMBL753458 0.75 GPR3 (0.39) LIMK1RAB9ATNKS2MEN1KMT2A
SCHEMBL18470294 0.73 LIMK1 (0.41) LIMK1ESR1TNKS2TNKS
SCHEMBL17037062 0.73 LIMK1 (0.41) LIMK1ESR1TNKS2TNKS
SCHEMBL26324938 0.73 LIMK1 (0.41) LIMK1ESR1TNKS2TNKS
SCHEMBL23046392 0.72 TNKS (0.46) LIMK1NPC1RAB9ATNKS2MEN1
SCHEMBL12687983 0.72 TNKS (0.46) LIMK1NPC1RAB9ATNKS2MEN1

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-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

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 823/4885PIK3CG 2921/4885ESR1 643/4885

“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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