SCHEMBL17526862

SCHEMBL17526862

CCCCC[C@H](CCCC)COC

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.46
CYP3A4 P08684 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TDP1 Q9NUW8 2/20 0.41
DNM1 Q05193 2/20 0.40
TSHR P16473 3/20 0.39
OPRM1 P35372 1/20 0.39
ATM Q13315 1/20 0.38
ZDHHC7 Q9NXF8 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
CA2 P00918 2/20 0.34
CA1 P00915 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
SCHEMBL10420583 0.98 LMNA (0.50) LMNACYP3A4L3MBTL1ALDH1A1TDP1
SCHEMBL13464036 0.95 LMNA (0.52) LMNACYP3A4L3MBTL1DNM1TSHR
SCHEMBL18893399 0.95 LMNA (0.52) LMNACYP3A4L3MBTL1DNM1TSHR
SCHEMBL17676328 0.95 LMNA (0.52) LMNACYP3A4L3MBTL1DNM1TSHR
SCHEMBL15470785 0.95 LMNA (0.52) LMNACYP3A4L3MBTL1DNM1TSHR
SCHEMBL17199784 0.95 LMNA (0.52) LMNACYP3A4L3MBTL1DNM1TSHR
SCHEMBL10419386 0.95 LMNA (0.52) LMNACYP3A4L3MBTL1DNM1TSHR
SCHEMBL13886259 0.95 LMNA (0.52) LMNACYP3A4L3MBTL1DNM1TSHR
SCHEMBL10419687 0.95 LMNA (0.52) LMNACYP3A4L3MBTL1DNM1TSHR
SCHEMBL17526633 0.93 LMNA (0.44) LMNACYP3A4L3MBTL1ALDH1A1TDP1

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 LMNA 3497/4885CYP3A4 1071/4885L3MBTL1 4427/4885

“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.