SCHEMBL13055682

SCHEMBL13055682

CC1(C)OC(=O)C(=C2CC2)C(=O)O1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
HSD17B10 Q99714 1/20 0.52
PTPN1 P18031 4/20 0.39
ALDH1A1 P00352 12/20 0.36
NPC1 O15118 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
HTT P42858 1/20 0.33
ACP1 P24666 2/20 0.32
CDC25B P30305 2/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KMT2A Q03164 1/20 0.30

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
SCHEMBL2803375 0.91 LMNA (0.53) LMNAHSD17B10PTPN1ALDH1A1NPC1
SCHEMBL2804681 0.91 LMNA (0.53) LMNAHSD17B10PTPN1ALDH1A1NPC1
SCHEMBL2499788 0.89 LMNA (0.52) LMNAHSD17B10PTPN1ALDH1A1NPC1
SCHEMBL13311937 0.85 LMNA (0.53) LMNAHSD17B10PTPN1ALDH1A1NPC1
SCHEMBL3751031 0.80 LMNA (0.41) LMNAHSD17B10PTPN1
SCHEMBL9730908 0.74
SCHEMBL11001381 0.70 LMNA (0.56) LMNAHSD17B10PTPN1ALDH1A1NPC1
SCHEMBL4951420 0.69 HSD17B10 (1.00) LMNAHSD17B10PTPN1ALDH1A1NPC1
SCHEMBL25357317 0.67 LMNA (0.34) LMNAHSD17B10PTPN1ALDH1A1NPC1
SCHEMBL9678981 0.67 TSHR (0.42) LMNAHSD17B10PTPN1ALDH1A1TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9012391-B2 Organic compounds GIVAUDAN SA (CH) 2015-04-21 US disclosed
US-20100292128-A1 Organic Compounds GIVAUDAN SA (CH) 2010-11-18 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-20100292128-A1 Organic Compounds TRPA1, FASN, OR10J3 LMNA 1886/4885HSD17B10 47/4885PTPN1 4848/4885

“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.