SCHEMBL18177617

SCHEMBL18177617

CC(=O)c1cc2cc3ccc4cc5cc(C(C)=O)sc5cc4c3cc2s1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 3/20 0.59
DYRK1A Q13627 3/20 0.59
DYRK1B Q9Y463 3/20 0.59
HDAC1 Q13547 6/20 0.44
HDAC3 O15379 4/20 0.44
HDAC4 P56524 4/20 0.44
HDAC7 Q8WUI4 4/20 0.44
HDAC2 Q92769 4/20 0.44
HDAC10 Q969S8 4/20 0.44
HDAC11 Q96DB2 4/20 0.44
HDAC8 Q9BY41 4/20 0.44
HDAC6 Q9UBN7 4/20 0.44
HDAC9 Q9UKV0 4/20 0.44
HDAC5 Q9UQL6 4/20 0.44
GPR35 Q9HC97 1/20 0.42
LMNA P02545 1/20 0.38
BCL2L1 Q07817 1/20 0.38
ICAM1 P05362 1/20 0.38
SELE P16581 1/20 0.38
CA2 P00918 1/20 0.37

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
SCHEMBL19101601 0.92 DYRK1A (0.51) CLK1DYRK1ADYRK1BHDAC1HDAC3
SCHEMBL18177611 0.89 CLK1 (0.49) CLK1DYRK1ADYRK1BHDAC1HDAC3
SCHEMBL5999605 0.81 DYRK1A (0.59) CLK1DYRK1ADYRK1BHDAC1HDAC3
SCHEMBL15961987 0.78 DYRK1A (0.74) CLK1DYRK1ADYRK1BHDAC1HDAC3
SCHEMBL20022320 0.77 DYRK1A (0.58) CLK1DYRK1ADYRK1BHDAC1HDAC3
SCHEMBL8905597 0.76 DYRK1A (0.53) CLK1DYRK1ADYRK1BHDAC1HDAC3
SCHEMBL497750 0.76 DYRK1A (0.53) CLK1DYRK1ADYRK1BHDAC1HDAC3
SCHEMBL27913971 0.76 DYRK1A (0.56) CLK1DYRK1ADYRK1BHDAC1HDAC3
SCHEMBL9612781 0.75 CLK1 (0.51) CLK1DYRK1ADYRK1BHDAC1HDAC3
SCHEMBL14902878 0.75 CLK1 (0.56) CLK1DYRK1ADYRK1BHDAC1HDAC3

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-9705095-B2 Organic transistor, compound, organic semiconductor material for non-light-emitting organic semiconductor device, material for organic transistor, coating solution for non-light-emitting organic semiconductor device, and organic semiconductor film for non-light-emitting organic semiconductor device FUJIFILM CORPORATION (JP) 2017-07-11 US disclosed
US-20160315271-A1 ORGANIC TRANSISTOR, COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, MATERIAL FOR ORGANIC TRANSISTOR, COATING SOLUTION FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, AND ORGANIC SEMICONDUCTOR FILM FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE FUJIFILM CORPORATION (JP) 2016-10-27 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-20160315271-A1 ORGANIC TRANSISTOR, COMPOUND, ORGANIC SEMICONDUCTOR MATERIAL FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, MATERIAL FOR ORGANIC TRANSISTOR, COATING SOLUTION FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE, AND ORGANIC SEMICONDUCTOR FILM FOR NON-LIGHT-EMITTING ORGANIC SEMICONDUCTOR DEVICE OR10J3, APOL1, OXSR1 CLK1 1709/4885DYRK1A 3159/4885DYRK1B 3359/4885

“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.