SCHEMBL17526552

SCHEMBL17526552

CCCC[C@H](O)CCCN(C)C

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 4/20 0.50
FFAR4 Q5NUL3 1/20 0.41
FFAR1 O14842 1/20 0.41
NFKB1 P19838 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
GPR84 Q9NQS5 5/20 0.38
FDPS P14324 1/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38

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
SCHEMBL17526769 1.00 DNM1 (0.50) DNM1FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL17526715 0.93 DNM1 (0.54) DNM1FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL19577839 0.93 DNM1 (0.54) DNM1FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL17526837 0.93 DNM1 (0.54) DNM1FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL17526618 0.91 DNM1 (0.58) DNM1FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL17526542 0.91 DNM1 (0.58) DNM1FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL2354681 0.91 DNM1 (0.44) DNM1FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL2454527 0.90 ALDH1A1 (0.47) DNM1ALDH1A1TSHRHTR2AHRH1
SCHEMBL17526579 0.88 DNM1 (0.61) DNM1FFAR4FFAR1NFKB1ALDH1A1
SCHEMBL17526498 0.88 DNM1 (0.61) DNM1FFAR4FFAR1NFKB1ALDH1A1

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 DNM1 3016/4885FFAR4 2413/4885FFAR1 2686/4885

“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.