SCHEMBL22283370

SCHEMBL22283370

COc1ccc(C(=O)OC(C)(C)C2CC=C(C)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.42
ALOX15 P16050 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
MAPK1 P28482 2/20 0.39
CES2 O00748 2/20 0.38
PTPN1 P18031 1/20 0.37
HPGDS O60760 1/20 0.37
CES1 P23141 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CHRNA7 P36544 1/20 0.36
STAT3 P40763 1/20 0.36
MAPT P10636 2/20 0.36
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL5604543 0.86 CES2 (0.51) LMNACYP3A4ALOX15NPC1RAB9A
SCHEMBL15470537 0.83 LMNA (0.46) LMNACYP3A4ALOX15NPC1RAB9A
SCHEMBL22293372 0.81 LMNA (0.47) LMNACYP3A4ALOX15NPC1RAB9A
SCHEMBL15470644 0.80 LMNA (0.41) LMNACYP3A4ALOX15MAPK1CES2
SCHEMBL25380939 0.78 LMNA (0.59) LMNACYP3A4ALOX15NPC1RAB9A
SCHEMBL12663607 0.77 LMNA (0.60) LMNACYP3A4ALOX15NPC1RAB9A
SCHEMBL25380943 0.77 LMNA (0.57) LMNACYP3A4ALOX15NPC1RAB9A
SCHEMBL22373370 0.76 ELANE (0.50) ELANECA1CA2NPC1RAB9A
SCHEMBL3503694 0.74 LMNA (0.44) LMNACYP3A4ALOX15NPC1RAB9A
SCHEMBL17389214 0.73 LMNA (0.53) LMNACYP3A4ALOX15NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3689849-B1 PERFUME PRECURSOR TAKASAGO PERFUMERY CO LTD (JP) 2025-01-15 EP claimed
EP-3689849-A1 PERFUME PRECURSOR Takasago International Corporation (JP) 2020-08-05 EP claimed
EP-3689849-B1 PERFUME PRECURSOR TAKASAGO PERFUMERY CO LTD (JP) 2025-01-15 EP disclosed
US-11802258-B2 Perfume precursor TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-10-31 US disclosed
US-11802258-B2 Perfume precursor TAKASAGO INTERNATIONAL CORPORATION (JP) 2023-10-31 US disclosed
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US disclosed
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US disclosed
EP-3689849-A1 PERFUME PRECURSOR Takasago International Corporation (JP) 2020-08-05 EP disclosed
EP-3689849-A1 PERFUME PRECURSOR Takasago International Corporation (JP) 2020-08-05 EP 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 (2 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-11802258-B2 Perfume precursor CYP2E1, ADH1A, CYP1A1 ELANE 600/4885LMNA 3027/4885CYP3A4 73/4885
US-20210214644-A1 PERFUME PRECURSOR CYP2E1, ADH1A, CYP1A1 ELANE 600/4885LMNA 3027/4885CYP3A4 73/4885

“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.