SCHEMBL18177620

SCHEMBL18177620

Cc1cc2cc3ccc4cc5ccsc5cc4c3cc2s1

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.33
ALDH1A1 P00352 1/20 0.33
DYRK1A Q13627 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
SCHEMBL12277651 0.97 CYP2A6 (0.31) CYP2A6ALDH1A1
SCHEMBL19222466 0.93 CYP2A6 (0.33) CYP2A6ALDH1A1DYRK1A
SCHEMBL12277677 0.90 CYP2A6 (0.31) CYP2A6ALDH1A1
SCHEMBL4417258 0.89 CYP2A6 (0.36) CYP2A6ALDH1A1DYRK1A
SCHEMBL17432184 0.87 CYP2A6 (0.35) CYP2A6ALDH1A1DYRK1A
SCHEMBL15040947 0.87 CYP2A6 (0.37) CYP2A6ALDH1A1DYRK1A
SCHEMBL18177592 0.87 ALDH1A1 (0.39) ALDH1A1
SCHEMBL18965563 0.86 CYP2A6 (0.33) CYP2A6ALDH1A1DYRK1A
SCHEMBL12277746 0.83 ALDH1A1 (0.37) ALDH1A1
SCHEMBL18386539 0.83 CYP2A6 (0.33) CYP2A6ALDH1A1DYRK1A

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 CYP2A6 1900/4885ALDH1A1 3542/4885DYRK1A 3159/4885

“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.