SCHEMBL23924264

SCHEMBL23924264

CC(C)(O)CCc1ccccc1.CC(C)(O)Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.47
TAAR1 Q96RJ0 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
TRPA1 O75762 1/20 0.43
TDP1 Q9NUW8 1/20 0.41
FDPS P14324 2/20 0.41
MMP8 P22894 2/20 0.41
ALDH1A1 P00352 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL272368 0.92 TDP1 (0.48) SLC6A2TAAR1LMNATDP1FDPS
SCHEMBL251220 0.92 TDP1 (0.48) SLC6A2TAAR1LMNATDP1FDPS
Water SCHEMBL27475250 0.90 TDP1 (0.46) SLC6A2TAAR1LMNATDP1FDPS
Ammonia Solution, Strong SCHEMBL2333633 0.90 TDP1 (0.46) SLC6A2TAAR1LMNATDP1FDPS
Ammonia Solution, Strong SCHEMBL10952443 0.88 TDP1 (0.44) SLC6A2TAAR1LMNATDP1FDPS
SCHEMBL21353 0.87 SLC6A2 (0.58) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Alcohol SCHEMBL4592779 0.86 TDP1 (0.48) SLC6A2TAAR1TDP1FDPSALDH1A1
SCHEMBL28366661 0.85 SLC6A2 (0.56) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL28366193 0.85 SLC6A2 (0.56) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
Bromide SCHEMBL28597373 0.85 SLC6A2 (0.56) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19

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-11634659-B2 Fragrances with rose scent SYMRISE AG (DE) 2023-04-25 US disclosed
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT SYMRISE AG (DE) 2021-10-21 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 (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-11634659-B2 Fragrances with rose scent NR1H2, DUOX2, AOX1 SLC6A2 4657/4885TAAR1 1970/4885CYP1A2 70/4885
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT NR1H2, DUOX2, AOX1 SLC6A2 4768/4885TAAR1 1967/4885CYP1A2 130/4885

“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.