SCHEMBL17526490

SCHEMBL17526490

CC[C@H](CCO)CCCCC(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
CYP3A4 P08684 1/20 0.50
ATM Q13315 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
CA2 P00918 2/20 0.42
ALDH1A1 P00352 2/20 0.42
LMNA P02545 1/20 0.42
PPARG P37231 2/20 0.39
PABPC1 P11940 1/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
RECQL P46063 1/20 0.37
MAPT P10636 1/20 0.37
MAPK1 P28482 1/20 0.37
PPARA Q07869 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
SCHEMBL17526731 1.00 TSHR (0.50) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL17526467 0.94 TSHR (0.52) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL17526581 0.94 TSHR (0.52) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL2499138 0.92 L3MBTL1 (0.54) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL495714 0.89 L3MBTL1 (0.51) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL493927 0.89 L3MBTL1 (0.51) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL494253 0.89 L3MBTL1 (0.51) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL495278 0.89 L3MBTL1 (0.51) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL494337 0.89 L3MBTL1 (0.51) TSHRCYP3A4ATMTDP1L3MBTL1
SCHEMBL494032 0.89 L3MBTL1 (0.51) TSHRCYP3A4ATMTDP1L3MBTL1

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 TSHR 4131/4885CYP3A4 1071/4885ATM 4605/4885

“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.