SCHEMBL21651112

SCHEMBL21651112

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
MAPT P10636 2/20 0.33
CYP3A4 P08684 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
PKM P14618 2/20 0.33
DHODH Q02127 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MT-CO2 P00403 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CDC25A P30304 1/20 0.33
CDC25B P30305 1/20 0.33
RPS6KA3 P51812 1/20 0.33
GLO1 Q04760 1/20 0.33
GPR35 Q9HC97 1/20 0.33
METAP2 P50579 1/20 0.32
PPARG P37231 1/20 0.32
IMPDH2 P12268 1/20 0.32
XPO1 O14980 2/20 0.31

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
SCHEMBL4022760 0.75 ALDH1A1 (0.36) ALDH1A1MAPTMT-CO2POLB
SCHEMBL3938297 0.71
SCHEMBL3943088 0.70 ALDH1A1 (0.49) ALDH1A1MAPTMEN1KMT2APKM
SCHEMBL9688152 0.69 ALDH1A1 (0.35) ALDH1A1MAPTPOLB
SCHEMBL18656767 0.69 KDM4E (0.35) ALDH1A1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL27439304 0.68 MAPT (0.38) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL3936524 0.68 MAPT (0.38) ALDH1A1MAPTMEN1KMT2AMT-CO2
SCHEMBL29165332 0.67 NOS3 (0.38) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL26983541 0.67
SCHEMBL21651148 0.67 IMPDH2 (0.31) IMPDH2

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 ALDH1A1 130/4885MAPT 1597/4885CYP3A4 218/4885
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT NR1H2, DUOX2, AOX1 ALDH1A1 173/4885MAPT 1898/4885CYP3A4 266/4885

“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.