SCHEMBL918646

SCHEMBL918646

COc1cc(CN2CC[N]CC2)c(CO)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPK1 P28482 1/20 0.41
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 2/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL2096433 0.84 MEN1 (0.46) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL916890 0.84 CYP1A2 (0.50) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL918331 0.82 KDM4E (0.43) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL2090327 0.79 MEN1 (0.43) KDM4EALDH1A1MEN1KMT2AMAPK1
SCHEMBL918505 0.77 MEN1 (0.37) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL18362599 0.76 PDE4A (0.48) ALDH1A1
SCHEMBL1047858 0.72 ALDH1A1 (0.46) ALDH1A1MAPK1SMN1; SMN2
SCHEMBL2207645 0.69 MEN1 (0.60) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL13452367 0.69 CYP1A2 (0.51) KDM4EALDH1A1MEN1KMT2ATSHR
SCHEMBL17323226 0.68 PDE4A (0.47) MAPTNPC1

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-8981131-B2 Tricyclic compounds for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2015-03-17 US claimed
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2011-01-13 US claimed
WO-2009016565-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-05 WO claimed
US-8981131-B2 Tricyclic compounds for the treatment of inflammatory disorders Piramal Enterprises Limited (IN) 2015-03-17 US disclosed
US-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS Piramal Enterprises Limited (IN) 2011-01-13 US disclosed
WO-2009016565-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS PIRAMAL LIFE SCIENCES LIMITED (IN) 2009-02-05 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-20110009396-A1 TRICYCLIC COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS IL1R1, IL1B, IL1A KDM4E 4136/4885ALDH1A1 1115/4885MEN1 2278/4885

“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.