SCHEMBL17878900

SCHEMBL17878900

CCCCCCCCCCCC1c2cc(Br)ccc2-c2c(C)cc(Br)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 5/20 0.34
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
CNR1 P21554 2/20 0.32
CNR2 P34972 2/20 0.32
TDP2 O95551 1/20 0.31
ESR1 P03372 1/20 0.30
ESR2 Q92731 1/20 0.30
NPC1 O15118 1/20 0.30
GAA P10253 1/20 0.30
NFKB1 P19838 1/20 0.30
RAB9A P51151 1/20 0.30
NFKB2 Q00653 1/20 0.30
RELA Q04206 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
LMNA P02545 1/20 0.30
GRM2 Q14416 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
SCHEMBL5537755 0.85 LMNA (0.36) SIRT2NPC1GAANFKB1RAB9A
SCHEMBL28002427 0.85 LMNA (0.36) SIRT2NPC1GAANFKB1RAB9A
SCHEMBL13475130 0.85 LMNA (0.36) SIRT2NPC1GAANFKB1RAB9A
SCHEMBL16442400 0.84 GPR3 (0.34) SIRT2NPC1GAANFKB1RAB9A
SCHEMBL19767752 0.80 CYP1A2 (0.35) SIRT2NPC1GAANFKB1RAB9A
SCHEMBL27771108 0.79 NPC1 (0.37) TDP2NPC1GAANFKB1RAB9A
SCHEMBL20233412 0.78 LMNA (0.34) NPC1GAANFKB1RAB9ANFKB2
SCHEMBL2813518 0.73 GPR3 (0.33) SIRT2NPC1GAANFKB1RAB9A
SCHEMBL17882478 0.71 PGR (0.43) TDP2ESR1ESR2
SCHEMBL17067722 0.71 CNR1 (0.38) CNR1CNR2NPC1NFKB1RAB9A

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-20160190458-A1 POLYMER AND ORGANIC ELECTRONIC DEVICE CAMBRIDGE DISPLAY TECHNOLOGY LIMITED (GB) 2016-06-30 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-20160190458-A1 POLYMER AND ORGANIC ELECTRONIC DEVICE REV1, RER1, RIF1 SIRT2 2091/4885NPY1R 145/4885NPY2R 668/4885

“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.