SCHEMBL21633992

SCHEMBL21633992

CC(C)CCC1=CCCCC1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 2/20 0.46
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DAO P14920 1/20 0.36
HIF1A Q16665 1/20 0.33
SORT1 Q99523 1/20 0.33
CYP2C19 P33261 2/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 2/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
HTR2C P28335 1/20 0.31
CYP3A4 P08684 1/20 0.31
DHODH Q02127 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
SCHEMBL1078427 0.89 DAO (0.38) GSTP1SMN1; SMN2DAOSORT1HTR2C
SCHEMBL31485230 0.86 GSTP1 (0.42) GSTP1TP53SMN1; SMN2HIF1A
SCHEMBL11211634 0.81 GSTP1 (0.45) GSTP1TP53SMN1; SMN2DAOHIF1A
SCHEMBL1237584 0.79 GSTP1 (0.46) GSTP1TP53HIF1AMAPT
SCHEMBL6898539 0.78 FNTA (0.39) GSTP1SMN1; SMN2DAOHTR2C
SCHEMBL6895221 0.76 FNTA (0.35) GSTP1TP53SMN1; SMN2DAOHIF1A
SCHEMBL1238429 0.76 GSTP1 (0.44) GSTP1TP53DAOHIF1AMAPT
SCHEMBL278013 0.75 GSTP1 (0.42) GSTP1TP53HIF1AMAPT
SCHEMBL1235894 0.74 GSTP1 (0.43) GSTP1TP53
SCHEMBL743966 0.74

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3826986-B1 NOVEL ODORANTS HAVING ROSE ODOUR SYMRISE AG (DE) 2026-03-04 EP disclosed
CN-117986090-A Novel fragrances with rose scent 西姆莱斯股份公司 2024-05-07 CN disclosed
CN-112469685-B Novel fragrances with rose scent 西姆莱斯股份公司 2024-01-02 CN disclosed
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
EP-3826986-A1 NOVEL ODORANTS HAVING ROSE ODOUR Symrise AG (DE) 2021-06-02 EP disclosed
CN-112469685-A Novel flavoring agent with rose smell 西姆莱斯股份公司 2021-03-09 CN 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 GSTP1 905/4885TP53 1912/4885SMN1; SMN2 4131/4885
US-20210324300-A1 NOVEL FRAGRANCES WITH ROSE SCENT NR1H2, DUOX2, AOX1 GSTP1 887/4885TP53 1820/4885SMN1; SMN2 3983/4885

“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.