SCHEMBL23945113

SCHEMBL23945113

CC(C)CCCC1CCC(CO)CC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.42
GBA1 P04062 2/20 0.39
PTPN1 P18031 1/20 0.32
CYP1A2 P05177 1/20 0.32
LMNA P02545 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
CDC25A P30304 2/20 0.31
CDC25B P30305 2/20 0.31
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 1/20 0.31
TP53 P04637 1/20 0.30
LNPEP Q9UIQ6 1/20 0.30
ALDH1A1 P00352 1/20 0.30
APLNR P35414 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
SCHEMBL12501741 0.92 MAPT (0.49) MAPTGBA1PTPN1LMNACDC25A
SCHEMBL876348 0.89
SCHEMBL21633983 0.86 GBA1 (0.33) MAPTGBA1ESR1CYP3A4CYP2C9
SCHEMBL13976304 0.84 LMNA (0.46) MAPTGBA1PTPN1LMNACDC25A
SCHEMBL6570906 0.83 MAPT (0.42) MAPTGBA1CYP1A2LMNAMAPK1
SCHEMBL12981938 0.79 CYP1A2 (0.46) MAPTCYP1A2LMNA
SCHEMBL28414746 0.79 LMNA (0.42) MAPTGBA1CYP1A2LMNAMAPK1
SCHEMBL9379793 0.79 CYP1A2 (0.52) MAPTCYP1A2LMNA
SCHEMBL17592418 0.78 MAPT (0.39) MAPTCYP1A2LMNAMAPK1HTT
SCHEMBL17592347 0.78 MAPT (0.39) MAPTCYP1A2LMNAMAPK1HTT

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 MAPT 1597/4885GBA1 4704/4885PTPN1 4029/4885
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT NR1H2, DUOX2, AOX1 MAPT 1898/4885GBA1 4716/4885PTPN1 3950/4885

“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.