SCHEMBL6566640

SCHEMBL6566640

CCC(=O)c1cc(N)ccc1OCC(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.58
GAA P10253 1/20 0.58
ABCB1 P08183 4/20 0.44
XDH P47989 2/20 0.43
HIF1A Q16665 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTR2A P28223 1/20 0.41
ALOX5 P09917 1/20 0.40
SLC22A12 Q96S37 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TLR8 Q9NR97 1/20 0.38
PDE4B Q07343 1/20 0.38
DHODH Q02127 1/20 0.37

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
SCHEMBL6568009 0.81 PTGDR2 (0.55) ALDH1A1HIF1AMAPTNPSR1HTR2A
SCHEMBL22419890 0.80 ALDH1A1 (0.53) ALDH1A1GAAKDM4EMAPTSMN1; SMN2
SCHEMBL6565669 0.79 HTR2A (0.41) ALDH1A1GAAKDM4EMAPTHTR2A
SCHEMBL6564400 0.79 PDK2 (0.47) KDM4EMAPTSMN1; SMN2
SCHEMBL27842193 0.78 ABCB1 (0.66) ALDH1A1ABCB1KDM4E
SCHEMBL6567847 0.78 MAPT (0.44) ALDH1A1ABCB1KDM4EMAPTNPSR1
SCHEMBL6564598 0.77 SMN1; SMN2 (0.48) ALDH1A1KDM4EMAPTHTR2ASMN1; SMN2
SCHEMBL6567890 0.77 CFD (0.46) ALDH1A1GAAKDM4EHTR2A
SCHEMBL6565808 0.76 KMT2A (0.46) ALDH1A1GAAXDHKDM4EMAPT
SCHEMBL6564659 0.76 ABCB1 (0.47) ALDH1A1GAAABCB1KDM4EMAPT

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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-12-23 US disclosed
EP-1437344-A1 BENZENE DERIVATIVES,PROCESS FOR PREPARING THE SAME AND USE THEREOF Takeda Chemical Industries, Ltd. (JP) 2004-07-14 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-20040259912-A1 Benzine derivatives, process for preparing the same and use thereof HRH4, HRH2, HRH1 ALDH1A1 907/4885GAA 3305/4885ABCB1 1210/4885

“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.