SCHEMBL1687703

SCHEMBL1687703

CCCC(C)c1ccsc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.40
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
RIPK1 Q13546 1/20 0.34
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
GRIA4 P48058 2/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
SLC6A3 Q01959 1/20 0.32
KCNH2 Q12809 1/20 0.32
HTR1A P08908 3/20 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
SCHEMBL3029544 0.88 ALOX5 (0.38) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL19286068 0.85 GPR84 (0.37) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL7874405 0.83
SCHEMBL11956274 0.82 ALOX5 (0.42) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11956275 0.80 ALOX5 (0.45) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13848615 0.78 CHRNB2 (0.36) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL18822219 0.78 ALOX5 (0.39) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28061477 0.78 CHRNB2 (0.36) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11956273 0.77 ALOX5 (0.42) ALOX5CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL8428133 0.77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2012-07-26 US disclosed
EP-2452942-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM Sumitomo Chemical Company, Limited (JP) 2012-05-16 EP disclosed
WO-2012046818-A1 METHOD FOR PRODUCING CHALCOGEN-CONTAINING CONDENSED POLYCYCLIC COMPOUND 住友化学株式会社 (JP) 2012-04-12 WO 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-20120190868-A1 SUBSTITUTED BENZOCHALCOGENOACENE COMPOUND, THIN FILM COMPRISING THE COMPOUND, AND ORGANIC SEMICONDUCTOR DEVICE INCLUDING THE THIN FILM EBPL, SAAL1, APOL1 ALOX5 2179/4885CHRNB2 2533/4885CHRNB4 2926/4885

“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.