SCHEMBL6306207

SCHEMBL6306207

C[C@@H](CO)CC(N)c1ccc(CCCCOc2ccc(F)cc2)s1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
RAB9A P51151 1/20 0.33
HTT P42858 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
KMT2A Q03164 1/20 0.32
DHFR P00374 1/20 0.31
HTR7 P34969 3/20 0.31
ADRA1D P25100 1/20 0.31
ADRA1A P35348 1/20 0.31
ADRA1B P35368 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
SCHEMBL6304690 0.90 ALDH1A1 (0.36) ALDH1A1HPGDMEN1KMT2A
Hydrochloric Acid SCHEMBL5168354 0.82 MAPK1 (0.46) ALDH1A1HTT
SCHEMBL6306202 0.74 KDM4E (0.38) KDM4ESMN1; SMN2USP2ALDH1A1HPGD
SCHEMBL6310339 0.71 MEN1 (0.37) ALDH1A1HPGDHTTMEN1KMT2A
SCHEMBL384015 0.71 S1PR1 (0.40) KDM4ESMN1; SMN2USP2ALDH1A1HPGD
SCHEMBL6764929 0.64 S1PR1 (0.39) SMN1; SMN2ALDH1A1MEN1LMNAKMT2A
SCHEMBL6304687 0.64 ALDH1A1 (0.39) ALDH1A1HPGDMEN1KMT2A
SCHEMBL10338308 0.63 MEN1 (0.60) KDM4ESMN1; SMN2USP2ALDH1A1HPGD
SCHEMBL2780770 0.62 KDM4E (0.53) KDM4ESMN1; SMN2USP2ALDH1A1HPGD
SCHEMBL9721752 0.61 TDP1 (0.47) KDM4ESMN1; SMN2USP2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 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 (2 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A KDM4E 675/4885SMN1; SMN2 4220/4885USP2 4080/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A KDM4E 675/4885SMN1; SMN2 4220/4885USP2 4080/4885

“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.