SCHEMBL5113571

SCHEMBL5113571

COC(=O)c1cc(OCc2ccccc2)n(C(C)C)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.47
LMNA P02545 1/20 0.47
NOTUM Q6P988 1/20 0.44
HTR2C P28335 4/20 0.43
SLC6A4 P31645 4/20 0.43
HTR2A P28223 3/20 0.43
PTGER1 P34995 2/20 0.42
KDM5A P29375 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
PPIA P62937 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
BCL2 P10415 1/20 0.39
MDM2 Q00987 1/20 0.39
MCL1 Q07820 1/20 0.39
GLRA1 P23415 1/20 0.39
MMP2 P08253 1/20 0.39

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
SCHEMBL631596 0.83 HPGD (0.50) HPGDLMNANOTUMHTR2CSLC6A4
SCHEMBL5111923 0.81 HTR2A (0.60) HPGDLMNANOTUMHTR2CSLC6A4
SCHEMBL5121439 0.81 CYSLTR1 (0.54)
SCHEMBL5112110 0.78 HPGD (0.47) HPGDLMNANOTUMPPIAALDH1A1
SCHEMBL21559634 0.77 JMJD6 (0.46) LMNAPTGER1ALDH1A1KDM4ETSHR
SCHEMBL5112315 0.76 HTR2C (0.52) HPGDLMNAHTR2CSLC6A4HTR2A
SCHEMBL21641026 0.76 HTR2C (0.46) HPGDLMNAHTR2CSLC6A4HTR2A
SCHEMBL5106684 0.76 KDM4E (0.46) LMNAHTR2CSLC6A4HTR2APTGER1
SCHEMBL5106689 0.76 KDM4E (0.46) LMNAHTR2CSLC6A4HTR2APTGER1
SCHEMBL5106010 0.75 HTR2C (0.46) HTR2CSLC6A4HTR2AKDM5AKDM4C

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-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP 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-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 HPGD 4473/4885LMNA 3761/4885NOTUM 2076/4885

“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.