SCHEMBL21026189

SCHEMBL21026189

CC(=O)O[C@H]1C2C(C)(C)CCC[C@]2(C)C2COC(=O)C2[C@@H]1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 5/20 0.35
▸ CYP3A4 P08684 4/20 0.35
▸ NFKB1 P19838 3/20 0.35
▸ ADCY1 Q08828 3/20 0.35
▸ TSHR P16473 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GMNN O75496 1/20 0.35
▸ BLM P54132 1/20 0.35
▸ PMP22 Q01453 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ NR1I2 O75469 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ ABCB1 P08183 1/20 0.35
▸ HTR1A P08908 1/20 0.35
▸ ADRA2A P08913 1/20 0.35
▸ SLC2A1 P11166 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ ADRA1A P35348 1/20 0.35

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 0.64 MAPK1 (0.31) MAPK1CYP3A4NFKB1ADCY1TSHR
SCHEMBL30498603 0.61 MAPT (0.41) MAPK1CYP3A4NFKB1ADCY1TSHR
SCHEMBL21585135 0.61 MAPK1 (0.40) MAPK1CYP3A4NFKB1ADCY1TSHR
SCHEMBL24402207 0.60 MAPK1 (0.35) MAPK1CYP3A4NFKB1ADCY1TSHR
SCHEMBL14982984 0.60 CYP3A4 (0.37) MAPK1CYP3A4NFKB1TSHRKMT2A
SCHEMBL30200341 0.59 PTPN2 (0.38) MAPK1CYP3A4NFKB1ADCY1TSHR
SCHEMBL7811925 0.58 CYP3A4 (0.33) MAPK1CYP3A4NFKB1KMT2APLA2G1B
SCHEMBL4688150 0.57 — —
SCHEMBL21026193 0.57 MAPK1 (0.38) MAPK1CYP3A4NFKB1ADCY1TSHR
SCHEMBL9694551 0.57 POLB (0.36) CYP3A4KMT2ACYP2D6CHRM2CYP2C19

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 219/4885NFKB1 3371/4885

“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