SCHEMBL12179986

SCHEMBL12179986

O=c1c2c(F)c3c(=O)n(Cc4ccc(C(F)(F)F)cc4)c(=O)c3c(F)c2c(=O)n1Cc1ccc(C(F)(F)F)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.49
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 3/20 0.45
CHRM5 P08912 4/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CFTR P13569 1/20 0.43
DAO P14920 1/20 0.42
EP300 Q09472 1/20 0.42
CREBBP Q92793 1/20 0.42
KAT2A Q92830 1/20 0.42
KAT2B Q92831 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
CHRM3 P20309 1/20 0.40
HSP90B1 P14625 1/20 0.40
TRAP1 Q12931 1/20 0.40
THRB P10828 1/20 0.40
HSP90AA1 P07900 1/20 0.40
RGS4 P49798 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
SCHEMBL12340309 0.92 MAPT (0.48) P2RX3KDM4EALDH1A1THRBHSP90AA1
SCHEMBL12179838 0.86 P2RX3 (0.52) P2RX3KDM4EALDH1A1CHRM5SMN1; SMN2
SCHEMBL12179822 0.85 P2RX3 (0.48) P2RX3KDM4EALDH1A1CHRM5SMN1; SMN2
SCHEMBL12343938 0.83 CFTR (0.47) P2RX3KDM4EALDH1A1CHRM5SMN1; SMN2
SCHEMBL55686 0.83 P2RX3 (0.49) P2RX3KDM4EALDH1A1CHRM5SMN1; SMN2
SCHEMBL12343053 0.81 KDM4E (0.45) P2RX3KDM4EALDH1A1CHRM5SMN1; SMN2
SCHEMBL2184970 0.81 CA12 (0.54) P2RX3KDM4EALDH1A1CHRM5SMN1; SMN2
SCHEMBL12340325 0.79 TP53 (0.52) ALDH1A1SMN1; SMN2THRBRGS4RGS8
SCHEMBL13541509 0.79 P2RX3 (0.43) P2RX3KDM4EALDH1A1CHRM5SMN1; SMN2
SCHEMBL12340311 0.75 MAPT (0.47) P2RX3KDM4EALDH1A1SMN1; SMN2DAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8269215-B2 Pyromellitic diimide organic semiconductors and devices THE JOHNS HOPKINS UNIVERSITY (US) 2012-09-18 US disclosed
WO-2011138743-A1 USE OF PYROMELLITIC DIIMIDES IN ORGANIC ELECTRONICS AND ORGANIC PHOTOVOLTAICS BASF SE (DE) 2011-11-10 WO disclosed
US-20110163301-A1 PYROMELLITIC DIIMIDE ORGANIC SEMICONDUCTORS AND DEVICES THE JOHNS HOPKINS UNIVERSITY (US) 2011-07-07 US disclosed
WO-2010011658-A2 PYROMELLITIC DIIMIDE ORGANIC SEMICONDUCTORS AND DEVICES THE JOHNS HOPKINS UNIVERSITY (US) 2010-01-28 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-20110163301-A1 PYROMELLITIC DIIMIDE ORGANIC SEMICONDUCTORS AND DEVICES AQP4, FTO, KCNE1 P2RX3 2915/4885KDM4E 698/4885ALDH1A1 3029/4885

“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.