SCHEMBL235244

SCHEMBL235244

CCc1c2ccsc2c(CC)c2ccsc12

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 12/20 0.33
ADORA3 P0DMS8 3/20 0.33
LMNA P02545 1/20 0.33
ADORA2A P29274 11/20 0.33
ADORA2B P29275 2/20 0.33
MAPT P10636 1/20 0.33
DYRK1A Q13627 1/20 0.31
GPR35 Q9HC97 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
SCHEMBL13262294 0.89 ADORA2A (0.34) ADORA1ADORA3ADORA2AADORA2BMAPT
SCHEMBL9988127 0.81 KDM4E (0.36) ADORA1ADORA3ADORA2AMAPTGPR35
SCHEMBL15071229 0.76 KDM4E (0.36) ADORA1ADORA3ADORA2AMAPTGPR35
SCHEMBL3370732 0.76 KDM4E (0.36) ADORA1ADORA3ADORA2AMAPTGPR35
SCHEMBL23047279 0.75 GPR35 (0.48) ADORA3LMNAADORA2AGPR35
SCHEMBL1494391 0.75 NEK1 (0.36)
SCHEMBL18874513 0.75 PDE7A (0.37) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL3842694 0.74 GPR35 (0.51) ADORA3LMNAADORA2AGPR35
SCHEMBL995654 0.74 GPR35 (0.51) ADORA3LMNAADORA2AGPR35
SCHEMBL861104 0.74 GPR35 (0.51) ADORA3LMNAADORA2AGPR35

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-9577194-B2 Hole transport compositions and related devices and methods (I) NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-02-21 US disclosed
US-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) PLEXTRONICS, INC. 2012-01-05 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-20120001127-A1 HOLE TRANSPORT COMPOSITIONS AND RELATED DEVICES AND METHODS (I) OCIAD2, OCIAD1, SLCO1B1 ADORA1 927/4885ADORA3 1822/4885LMNA 1906/4885

“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.