SCHEMBL2177834

SCHEMBL2177834

CC(C)CCCOc1ccn(Cc2ccc(Cl)cc2Cl)c(=O)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
MAPK14 Q16539 1/20 0.41
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL2176040 0.94 MEN1 (0.43) TSHRMEN1KMT2ACYP2D6CYP2C19
SCHEMBL2178944 0.87 MEN1 (0.45) TSHRMEN1KMT2ACYP2D6CYP2C19
SCHEMBL2175595 0.87 MAPK14 (0.43) TSHRMAPK14LMNASMN1; SMN2
SCHEMBL2175010 0.87 MEN1 (0.41) TSHRMEN1KMT2ACYP2D6CYP2C19
SCHEMBL2178830 0.86 MAPK14 (0.42) TSHRMAPK14LMNASMN1; SMN2
SCHEMBL2177842 0.86 HTT (0.44) TSHRMAPK14LMNASMN1; SMN2
SCHEMBL2177234 0.86 MAPK14 (0.44) TSHRMAPK14LMNASMN1; SMN2
SCHEMBL2177043 0.85 MAPK14 (0.41) TSHRMAPK14LMNASMN1; SMN2
SCHEMBL2175907 0.85 MAPK14 (0.41) TSHRMAPK14LMNASMN1; SMN2
SCHEMBL2177627 0.85 MAPK14 (0.41) TSHRMAPK14LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 US claimed
US-7973060-B2 Fab I inhibitor and process for preparing same CRYSTALGENOMICS, INC. (KR) 2011-07-05 US disclosed
US-20070135465-A1 Fab I Inhibitor and Process for Preparing Same CRYSTALGENOMICS, INC. (KR) 2007-06-14 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-20070135465-A1 Fab I Inhibitor and Process for Preparing Same TFPI, TFPI2, FCGRT TSHR 3182/4885MEN1 3245/4885KMT2A 3342/4885

“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.