SCHEMBL6804630

SCHEMBL6804630

CCOC(=O)c1cccc(Oc2cccc(Sc3ccc(C[C@@H](C)NC(=O)C(F)(F)F)cc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.48
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
KCNH2 Q12809 2/20 0.39
ESR1 P03372 1/20 0.39
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
F10 P00742 2/20 0.38
NPSR1 Q6W5P4 1/20 0.37
F2 P00734 1/20 0.37
USP2 O75604 2/20 0.36
CYP3A4 P08684 2/20 0.36
NR1I2 O75469 1/20 0.36
ADRB1 P08588 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA2A P08913 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
ADRA2B P18089 1/20 0.36

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
SCHEMBL6805223 0.95 ACACB (0.48) ACACBMEN1MAPTKMT2AKCNH2
SCHEMBL6676771 0.89 ADRB1 (0.43) ACACBKCNH2ESR1LMNAALDH1A1
SCHEMBL6676768 0.89 ADRB1 (0.43) ACACBKCNH2ESR1LMNAALDH1A1
SCHEMBL6677349 0.84 ACACB (0.45) ACACBKCNH2ESR1LMNAALDH1A1
SCHEMBL6677355 0.84 ACACB (0.45) ACACBKCNH2ESR1LMNAALDH1A1
SCHEMBL6805221 0.84 ACACB (0.48) ACACBMEN1MAPTKMT2AKCNH2
SCHEMBL6804168 0.83 ACACB (0.47) ACACBMEN1MAPTKMT2AKCNH2
SCHEMBL6541155 0.83 MTNR1A (0.48) ACACBMEN1KMT2AKCNH2ESR1
SCHEMBL6676699 0.83 MTNR1A (0.48) ACACBMEN1KMT2AKCNH2ESR1
SCHEMBL6804634 0.79 ACACB (0.39) ACACBKCNH2ESR1LMNASLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040106653-A1 Aminoalcohol derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-03 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-20040106653-A1 Aminoalcohol derivatives FANCD2, FANCI, HRH2 ACACB 1800/4885MEN1 4031/4885MAPT 4534/4885

“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.