SCHEMBL4444985

SCHEMBL4444985

CCCCc1ccc(-c2ccc3ccc4c(-c5ccc(CCCC)cc5)ccc5ccc2c3c54)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 7/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
TSHR P16473 2/20 0.42
TP53 P04637 1/20 0.42
MPL P40238 2/20 0.41
CA2 P00918 2/20 0.41
CA1 P00915 1/20 0.41
HSD11B1 P28845 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
NISCH Q9Y2I1 1/20 0.40
HPGD P15428 1/20 0.40
MAPT P10636 1/20 0.39
NFKB1 P19838 1/20 0.39
S1PR1 P21453 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4451026 1.00 RARB (0.44) RARBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL4444137 0.94 HSD11B1 (0.40) RARBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL4451024 0.91 SPHK1 (0.41) RARBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL4451022 0.91 SPHK1 (0.41) RARBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL6058898 0.89 TLR8 (0.43) RARBSMN1; SMN2RAB9ATSHRTP53
SCHEMBL28830953 0.88 RARB (0.44) RARBSMN1; SMN2RAB9ATSHRTP53
SCHEMBL19410763 0.85 HSD11B1 (0.43) RARBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL15673109 0.82 PSMB5 (0.42) RARBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL10058068 0.80 RARB (0.39) RARBSMN1; SMN2NPC1RAB9ATSHR
SCHEMBL4449698 0.78 PSMB5 (0.40) RARBSMN1; SMN2NPC1RAB9ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device PPOX, JUP, TARDBP RARB 829/4885SMN1; SMN2 4684/4885NPC1 1863/4885

“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.