SCHEMBL2997604

SCHEMBL2997604

CCOC(=O)CN(C)Cc1cc2cc(-c3ccc(C(C)(C)C)cc3)ccc2n1-c1ccc(OC2CCCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.42
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ESR1 P03372 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
ACSL1 P33121 1/20 0.32
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
ACACB O00763 2/20 0.32
KCNH2 Q12809 2/20 0.32
LMNA P02545 1/20 0.32
F10 P00742 1/20 0.32
S1PR3 Q99500 1/20 0.31
NR1H4 Q96RI1 1/20 0.31

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
SCHEMBL3010108 0.90 PTGES (0.47) PTGESMEN1KMT2AMAPTACACB
SCHEMBL3000520 0.89 PTGES (0.45) PTGESMEN1KMT2ACYP2C9CYP2C19
SCHEMBL2997608 0.85 PTGES (0.42) PTGESMEN1KMT2ACYP2C9CYP2C19
SCHEMBL3005797 0.83 PTGES (0.47) PTGESMEN1KMT2AESR1MAPT
SCHEMBL3001562 0.82 PTGES (0.54) PTGESMEN1KMT2ACYP2C9CYP2C19
SCHEMBL3006124 0.82 PTGES (0.49) PTGESMEN1KMT2AMAPTACACB
SCHEMBL4227306 0.81 PTGES (0.49) PTGESCYP2C9CYP2C19MAPTACACB
SCHEMBL3572573 0.79 PTGES (0.56) PTGESMEN1KMT2ACYP2C9CYP2C19
SCHEMBL3006135 0.78 PTGES (0.44) PTGESCYP2C9CYP2C19MAOAMAOB
SCHEMBL3010113 0.78 PTGES (0.46) PTGESMEN1KMT2AMAPTACACB

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-20100197687-A1 Indoles Useful in the Treatment of Inflammation BIOLIPOX AB (SE) 2010-08-05 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-20100197687-A1 Indoles Useful in the Treatment of Inflammation IDO1, IDO2, TPH1 PTGES 33/4885MEN1 2218/4885KMT2A 3808/4885

“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.