SCHEMBL21651113

SCHEMBL21651113

CC(C)CCC1=CC(=O)CCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 2/20 0.34
SORT1 Q99523 2/20 0.33
IDO1 P14902 1/20 0.33
DHODH Q02127 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 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
SCHEMBL9609518 0.80 MAPT (0.36) DAOMAPTALDH1A1KMT2APOLB
SCHEMBL3936524 0.78 MAPT (0.38) MAPTALDH1A1KMT2APOLBMEN1
SCHEMBL4869101 0.74 MAPT (0.35) DAOMAPTALDH1A1KMT2APOLB
SCHEMBL3505646 0.73 GPR84 (0.40) KMT2A
SCHEMBL3938297 0.73
SCHEMBL6282240 0.72 GPR84 (0.42)
SCHEMBL5511874 0.71 MEN1 (0.31) KMT2AMEN1
SCHEMBL4865720 0.71 ALOX5 (0.34) DAOSMN1; SMN2MAPTALDH1A1KMT2A
SCHEMBL9688152 0.71 ALDH1A1 (0.35) MAPTALDH1A1POLB
SCHEMBL11690801 0.70 MAPT (0.30) MAPTALDH1A1KMT2A

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 3 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
WO-2020020434-A1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2020-01-30 WO 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 DAO 625/4885SMN1; SMN2 4131/4885MAPT 1597/4885
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT NR1H2, DUOX2, AOX1 DAO 740/4885SMN1; SMN2 3983/4885MAPT 1898/4885

“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.