SCHEMBL17526547

SCHEMBL17526547

CC[C@H](CCO)CCCCCN(C)C

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.46
DNM1 Q05193 4/20 0.44
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.39
CA2 P00918 2/20 0.33
PAOX Q6QHF9 1/20 0.32
TDP1 Q9NUW8 1/20 0.31
KDM4A O75164 6/20 0.31
KDM4C Q9H3R0 6/20 0.31
KDM5A P29375 1/20 0.31
KDM7A Q6ZMT4 1/20 0.31
PHF8 Q9UPP1 1/20 0.31
KDM2A Q9Y2K7 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL17526489 1.00 ALDH1A1 (0.46) ALDH1A1TSHRDNM1LMNAMAPT
SCHEMBL17526734 0.98 ALDH1A1 (0.42) ALDH1A1TSHRDNM1LMNAMAPT
SCHEMBL17526513 0.98 ALDH1A1 (0.42) ALDH1A1TSHRDNM1LMNAMAPT
SCHEMBL17526696 0.91 ALDH1A1 (0.43) ALDH1A1TSHRDNM1LMNAMAPT
SCHEMBL17526596 0.91 ALDH1A1 (0.43) ALDH1A1TSHRDNM1LMNAMAPT
SCHEMBL10067651 0.85 DNM1 (0.52) ALDH1A1TSHRDNM1LMNACA2
SCHEMBL17200120 0.85 DNM1 (0.58) ALDH1A1TSHRDNM1LMNACA2
SCHEMBL6846200 0.85 ALDH1A1 (0.58) ALDH1A1TSHRDNM1LMNAMAPT
SCHEMBL7928729 0.84 ALDH1A1 (0.52) ALDH1A1TSHRLMNAMAPTCA2
Hydrochloric Acid SCHEMBL30707 0.83 DNM1 (0.60) ALDH1A1TSHRDNM1LMNACA2

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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2016-02-11 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-20160039879-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF FKBP1B, MALT1, FKBP5 ALDH1A1 2376/4885TSHR 4131/4885DNM1 3016/4885

“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.