SCHEMBL4644353

SCHEMBL4644353

C#CC(C)Oc1ccc(I)cc1C(=O)OC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
KDM4E B2RXH2 6/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.35
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA7 P43166 2/20 0.33
CA9 Q16790 2/20 0.33
CA14 Q9ULX7 2/20 0.33
MAPT P10636 2/20 0.33
PDK2 Q15119 1/20 0.33
PDK4 Q16654 1/20 0.33
MEN1 O00255 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 2/20 0.33
HPGD P15428 2/20 0.33
GAA P10253 3/20 0.33
HSD17B10 Q99714 2/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL4020950 0.84 IRAK4 (0.42) HTTKDM4EALDH1A1KMT2ACA12
SCHEMBL412460 0.77 KDM4E (0.49) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL30393778 0.77 KDM4E (0.49) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL4640374 0.76 MAOA (0.45) HTTALDH1A1KMT2AMAPTMEN1
SCHEMBL3940836 0.75 ELANE (0.38) HTTKDM4EALDH1A1KMT2ACA12
SCHEMBL16280389 0.74 HTT (0.38) HTTKDM4EALDH1A1KMT2ACA12
SCHEMBL8191773 0.74 KDM4E (0.38) HTTKDM4EALDH1A1KMT2ACA12
SCHEMBL25015012 0.73 MAPT (0.48) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL4799015 0.73 LMNA (0.35) HTTKDM4EALDH1A1KMT2AMAPT
SCHEMBL8419945 0.72 CA12 (0.33) HTTKDM4EALDH1A1KMT2ACA12

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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AG (DE) 2008-08-28 US disclosed
EP-1956016-A1 Bicyclic acyltryptophanols Bayer Schering Pharma Aktiengesellschaft (DE) 2008-08-13 EP disclosed
WO-2008071455-A1 BICYCLIC ACYLTRYPTOPHANOLS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2008-06-19 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-20080207728-A1 BICYCLIC ACYLTRYPTOPHANOLS FSHR, GNRHR, TPH1 HTT 358/4885KDM4E 2247/4885ALDH1A1 3513/4885

“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.