SCHEMBL5041891

SCHEMBL5041891

Cn1cnc2oc(CO)cc21

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.32
MAPT P10636 2/20 0.31
SHMT2 P34897 1/20 0.31
THRB P10828 1/20 0.31
DYRK1A Q13627 1/20 0.31
GRM5 P41594 1/20 0.31
KDM4E B2RXH2 2/20 0.31
POLB P06746 2/20 0.31
ALDH1A1 P00352 2/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
KMT2A Q03164 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC8 Q9BY41 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
SCHEMBL5046342 0.76 DYRK1A (0.33) MAPTTHRBDYRK1AGRM5ALDH1A1
SCHEMBL5044358 0.73 DYRK1A (0.34) MAPTTHRBDYRK1AGRM5KDM4E
SCHEMBL5036526 0.72 DYRK1A (0.40) DYRK1AGRM5
SCHEMBL5039530 0.69 DYRK1A (0.32) DYRK1AGRM5POLBKMT2A
SCHEMBL5039585 0.66 SMN1; SMN2 (0.36) MAPTKDM4EALDH1A1L3MBTL1KMT2A
SCHEMBL5039589 0.66 PRKCI (0.35) MAPTKDM4EPOLBALDH1A1TDP1
SCHEMBL5564805 0.62 HIF1A (0.41) DPP4MAPTKDM4EALDH1A1L3MBTL1
SCHEMBL5041971 0.62 ADORA2B (0.33) MAPTPOLBALDH1A1KMT2A
SCHEMBL4336512 0.61 DYRK1A (0.47) MAPTDYRK1AKDM4EPOLBALDH1A1
SCHEMBL20721715 0.61 CCR1 (0.38) KDM4E

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B DPP4 4258/4885MAPT 439/4885SHMT2 1000/4885

“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.