SCHEMBL21026193

SCHEMBL21026193

CC(=O)O[C@@H]1CC2=C(COC2=O)[C@@]2(C)CCCC(C)(C)C12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.38
▸ CYP3A4 P08684 4/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ GLI1 P08151 2/20 0.36
▸ NFKB1 P19838 2/20 0.33
▸ STAT1 P42224 1/20 0.33
▸ NFKB2 Q00653 1/20 0.33
▸ RELA Q04206 1/20 0.33
▸ EDNRB P24530 1/20 0.32
▸ TRPC6 Q9Y210 1/20 0.32
▸ TSHR P16473 3/20 0.31
▸ FNTA P49354 1/20 0.31
▸ FNTB P49356 1/20 0.31
▸ GMNN O75496 1/20 0.30
▸ BLM P54132 1/20 0.30
▸ PMP22 Q01453 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
Ugandensolide SCHEMBL21025899 0.70 MAPK1 (0.31) MAPK1CYP3A4KMT2ANFKB1STAT1
SCHEMBL11403009 0.70 CYP19A1 (0.40) MAPK1CYP3A4KMT2AMEN1TP53
SCHEMBL6438246 0.70 CYP19A1 (0.40) MAPK1CYP3A4KMT2AMEN1TP53
SCHEMBL14982984 0.61 CYP3A4 (0.37) MAPK1CYP3A4KMT2AMEN1LMNA
SCHEMBL7811925 0.60 CYP3A4 (0.33) MAPK1CYP3A4KMT2AMEN1LMNA
SCHEMBL13392646 0.59 SMN1; SMN2 (0.40) MAPK1CYP3A4KMT2AMEN1TP53
SCHEMBL21812507 0.58 CHRNB2 (0.42) CYP3A4KMT2AMEN1MAPTTSHR
SCHEMBL25493699 0.56 CYP3A4 (0.33) MAPK1CYP3A4KMT2AMEN1LMNA
SCHEMBL8625426 0.56 CHRM2 (0.41) KMT2AMEN1NPSR1CYP2D6CHRM2
SCHEMBL15024805 0.54 MAPT (0.37) KMT2AMEN1LMNAMAPTTSHR

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-20190150437-A1 USE OF SESQUITERPENES AND THEIR ANALOGS AS GREEN INSECTICIDES FOR CONTROLLING DISEASE VECTORS AND PLANT PESTS OHIO STATE INNOVATION FOUNDATION 2019-05-23 — — 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-20190150437-A1 USE OF SESQUITERPENES AND THEIR ANALOGS AS GREEN INSECTICIDES FOR CONTROLLING DISEASE VECTORS AND PLANT PESTS NOTUM, DDT, CYP51A1 MAPK1 4776/4885CYP3A4 219/4885KMT2A 1794/4885

“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.

Send feedback