SCHEMBL4091005

SCHEMBL4091005

COC(=O)c1ccc(Cl)c(NNCC(Cl)CCO)c1NCCCCO

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
CYP4A11 Q02928 2/20 0.33
CYP4F2 P78329 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
CASR P41180 1/20 0.31
PTGS2 P35354 1/20 0.31
NR4A2 P43354 1/20 0.31
P2RX7 Q99572 1/20 0.31
S1PR1 P21453 1/20 0.31
S1PR3 Q99500 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
SCHEMBL3669166 0.75 POLB (0.42) POLBCYP4A11CYP4F2KDM4EGLA
SCHEMBL3673643 0.71 ABL1 (0.42) POLBCYP4A11CYP4F2KDM4EGLA
SCHEMBL3664402 0.68 KMT2A (0.38) POLBKDM4EGLANR4A2
SCHEMBL3667824 0.68 ALDH1A1 (0.41) POLBKDM4EGLA
SCHEMBL3671045 0.67 P2RX7 (0.36) POLBKDM4EPTGS2NR4A2P2RX7
SCHEMBL3674113 0.67 ALDH1A1 (0.37) POLBKDM4E
SCHEMBL3675414 0.66 NPC1 (0.34) POLBKDM4EGLAPTGS2P2RX7
SCHEMBL3670184 0.66 KDM4E (0.49) KDM4EGLAPTGS2
SCHEMBL4090979 0.65 ALDH1A1 (0.35) POLBKDM4EGLANR4A2P2RX7
SCHEMBL3672205 0.65 ALDH1A1 (0.38) POLBKDM4EGLAPTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8785460-B2 Tricyclic compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-07-22 US disclosed
US-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-23 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-20090186879-A1 TRICYCLIC COMPOUNDS AND USE THEREOF CRHR1, CRHR2, HCRTR1 POLB 4669/4885CYP4A11 220/4885CYP4F2 546/4885

“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.