SCHEMBL6541442

SCHEMBL6541442

CC1(C)OCC(Cc2ccc(O)cc2)N1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 1/20 0.36
P4HB P07237 2/20 0.36
KDM4E B2RXH2 1/20 0.36
F13A1 P00488 1/20 0.36
CYP3A4 P08684 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CACNA1G O43497 1/20 0.35
ABCB1 P08183 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34

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
SCHEMBL6541438 1.00 CAPN1 (0.38) CAPN1ALDH1A1HSD17B10P4HBKDM4E
SCHEMBL6539645 0.88 MAPT (0.38) ALDH1A1HSD17B10CYP3A4MAPTKMT2A
SCHEMBL6539634 0.88 MAPT (0.38) ALDH1A1HSD17B10CYP3A4MAPTKMT2A
SCHEMBL6539531 0.84 CACNA1G (0.43) ALDH1A1HSD17B10KDM4ECYP3A4MAPT
SCHEMBL6539545 0.84 CACNA1G (0.43) ALDH1A1HSD17B10KDM4ECYP3A4MAPT
SCHEMBL6541124 0.83 NAMPT (0.42) ALDH1A1HSD17B10ABCB1CA2
SCHEMBL6541226 0.83 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP3A4MAPTHPGD
SCHEMBL6541230 0.83 ALDH1A1 (0.39) ALDH1A1HSD17B10CYP3A4MAPTHPGD
SCHEMBL6541119 0.83 NAMPT (0.42) ALDH1A1HSD17B10ABCB1CA2
SCHEMBL7691950 0.83 MAPT (0.42) ALDH1A1HSD17B10CYP3A4MAPTKMT2A

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-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 CAPN1 4706/4885ALDH1A1 188/4885HSD17B10 1650/4885

“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.