SCHEMBL9998266

SCHEMBL9998266

COCCOCCn1ccnc1C=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
NFKB1 P19838 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
LMNA P02545 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
TLR8 Q9NR97 2/20 0.31
ADORA1 P30542 1/20 0.30
BRD4 O60885 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
SCHEMBL4760928 0.91 KMT2A (0.37) ALDH1A1PKMKMT2AMEN1BRD4
SCHEMBL1206417 0.88 MEN1 (0.32) ALDH1A1KMT2AMEN1BRD4
SCHEMBL2497098 0.84 ADORA2A (0.37) ALDH1A1SMN1; SMN2KMT2AMEN1TLR8
SCHEMBL15333396 0.84 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2KDM4ENPC1PKM
SCHEMBL23043387 0.75 LTA4H (0.43) SMN1; SMN2NPC1RAB9AKMT2AMEN1
SCHEMBL1206348 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1TLR8
SCHEMBL5655364 0.74 TLR8 (0.57) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL14901265 0.74 DUT (0.42) KMT2AMEN1
SCHEMBL9535005 0.73 TLR8 (0.56) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A
SCHEMBL27968081 0.73 TLR8 (0.56) ALDH1A1SMN1; SMN2KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8334377-B2 Porphyrin catalysts and methods of use thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-12-18 US disclosed
US-8334377-B2 Porphyrin catalysts and methods of use thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-12-18 US disclosed
US-8334377-B2 Porphyrin catalysts and methods of use thereof THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2012-12-18 US disclosed
US-20110306584-A1 Porphyrin Catalysts and Methods of Use Thereof TRUSTEES OF PRINCETON (US) 2011-12-15 US disclosed
US-20110306584-A1 Porphyrin Catalysts and Methods of Use Thereof TRUSTEES OF PRINCETON (US) 2011-12-15 US disclosed
US-20110306584-A1 Porphyrin Catalysts and Methods of Use Thereof TRUSTEES OF PRINCETON (US) 2011-12-15 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-20110306584-A1 Porphyrin Catalysts and Methods of Use Thereof PPOX, POR, MPO ALDH1A1 1190/4885SMN1; SMN2 3954/4885KDM4E 2621/4885

“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.