SCHEMBL6804725

SCHEMBL6804725

C[C@H](Cc1ccc(Sc2ccc(C=O)cc2)cc1)NC(=O)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.43
KCNH2 Q12809 1/20 0.43
ACACB O00763 9/20 0.41
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SLC6A4 P31645 4/20 0.38
TAAR1 Q96RJ0 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
TSHR P16473 1/20 0.36
NFKB1 P19838 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL6805895 0.86 ESR1 (0.47) ESR1KCNH2ACACBRAB9ANPC1
SCHEMBL6679787 0.86 ESR1 (0.47) ESR1KCNH2ACACBRAB9ANPC1
SCHEMBL6541556 0.86 ESR1 (0.47) ESR1KCNH2ACACBRAB9ANPC1
SCHEMBL6809464 0.84 ESR1 (0.42) ESR1KCNH2ACACBRAB9ANPC1
SCHEMBL6677138 0.82 ACACB (0.52) ESR1KCNH2ACACB
SCHEMBL6677141 0.82 ACACB (0.52) ESR1KCNH2ACACB
SCHEMBL6801169 0.81 AGBL2 (0.39) ESR1KCNH2ACACBRAB9ANPC1
SCHEMBL6682539 0.80 ESR1 (0.46) ESR1KCNH2ACACBRAB9ANPC1
SCHEMBL6682534 0.80 ESR1 (0.46) ESR1KCNH2ACACBRAB9ANPC1
SCHEMBL6917853 0.79 ESR1 (0.41) ESR1KCNH2ACACBRAB9ANPC1

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 ESR1 3850/4885KCNH2 184/4885ACACB 1800/4885

“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.