SCHEMBL4442149

SCHEMBL4442149

CCCCc1ccc(/C=C/c2ccc(Br)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
NPC1 O15118 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
NFKB2 Q00653 1/20 0.50
RELA Q04206 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SPHK1 Q9NYA1 2/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
CYP2D6 P10635 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 2/20 0.44

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
SCHEMBL4442150 1.00 RAB9A (0.50) RAB9ASMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL687846 0.88 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL27881438 0.88 SMN1; SMN2 (0.59) RAB9ASMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL11996483 0.86 SMN1; SMN2 (0.58) RAB9ASMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL13321988 0.84 THRA (0.46) SPHK1CYP2D6CYP3A4CYP2C9CYP2C19
SCHEMBL3477945 0.84 RARB (0.55) RAB9ASMN1; SMN2NPC1SPHK1GRIN2D
SCHEMBL3477950 0.84 RARB (0.55) RAB9ASMN1; SMN2NPC1SPHK1GRIN2D
Ethylene SCHEMBL27589046 0.84 SMN1; SMN2 (0.56) RAB9ASMN1; SMN2NPC1NFKB1MAPK1
SCHEMBL30312758 0.82 HSD11B1 (0.49) RELASPHK1GRIN2DGRIN3BGRIN1
SCHEMBL7538660 0.82 HSD11B1 (0.49) RELASPHK1GRIN2DGRIN3BGRIN1

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-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 US disclosed
US-20090179196-A1 Pyrene-Based Organic Compound, Transistor Material and Light-Emitting Transistor Device KYUSHU UNIVERSITY (JP) 2009-07-16 US disclosed
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 RAB9A 2619/4885SMN1; 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.