SCHEMBL22283453

SCHEMBL22283453

CCC(C)(CCCC(C)C)OC(=O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
TDP1 Q9NUW8 4/20 0.41
TSHR P16473 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HSD17B10 Q99714 1/20 0.41
ADRB2 P07550 2/20 0.40
ADRB1 P08588 2/20 0.40
ADRB3 P13945 2/20 0.40
HTR1A P08908 1/20 0.40
SCN1A P35498 1/20 0.40
SLC6A3 Q01959 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN2A Q99250 1/20 0.40
SCN3A Q9NY46 1/20 0.40
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
PRSS1 P07477 4/20 0.39

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
SCHEMBL14695672 0.88 CYP2D6 (0.64) CYP2D6CYP1A2CYP2C19TDP1TSHR
SCHEMBL22283463 0.87 CYP1A2 (0.46) CYP2D6CYP1A2CYP2C19TDP1TSHR
SCHEMBL10343244 0.87 TSHR (0.46) CYP2D6CYP1A2CYP2C19TDP1TSHR
SCHEMBL22283498 0.85 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19TDP1TSHR
SCHEMBL22283531 0.85 ELANE (0.49) CYP2D6CYP1A2CYP2C19TDP1TSHR
SCHEMBL13514895 0.84 CYP2D6 (0.76) CYP2D6CYP1A2CYP2C19TDP1TSHR
SCHEMBL22283345 0.82 LMNA (0.46) CYP2D6CYP1A2CYP2C19TDP1TSHR
SCHEMBL1783308 0.81 CYP2D6 (0.71) CYP2D6CYP1A2CYP2C19TDP1TSHR
SCHEMBL24506166 0.81 CYP2D6 (0.56) CYP2D6CYP1A2CYP2C19TDP1TSHR
SCHEMBL16672632 0.81 CYP2D6 (0.62) CYP2D6CYP1A2CYP2C19TDP1TSHR

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 11 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
US-20210214644-A1 PERFUME PRECURSOR TAKASAGO INTERNATIONAL CORPORATION (JP) 2021-07-15 US 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-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 CYP2D6 558/4885CYP1A2 15/4885CYP2C19 136/4885
US-20210214644-A1 PERFUME PRECURSOR CYP2E1, ADH1A, CYP1A1 CYP2D6 558/4885CYP1A2 15/4885CYP2C19 136/4885

“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.