SCHEMBL29167883

SCHEMBL29167883

c1ccc(C(OC2CCCCO2)c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 4/20 0.44
CHRM2 P08172 2/20 0.42
ADRA2A P08913 2/20 0.42
CHRM1 P11229 2/20 0.42
DRD1 P21728 2/20 0.42
SLC6A2 P23975 2/20 0.42
ADRA1A P35348 2/20 0.42
OPRM1 P35372 2/20 0.42
DRD3 P35462 2/20 0.42
KCNH2 Q12809 2/20 0.42
CYP2D6 P10635 2/20 0.42
HTR1A P08908 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
MAPK1 P28482 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
DRD2 P14416 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41
CHRM3 P20309 1/20 0.41

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
SCHEMBL11059342 0.86 CHRNA7 (0.43) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL17447727 0.85 IDO1 (0.47) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL13686149 0.83 SLC6A3 (0.46) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL11719808 0.83 SLC6A3 (0.46) SLC6A3CYP2D6PTGER4KDM4CIDO1
SCHEMBL8978498 0.83 SLC6A3 (0.46) SLC6A3CYP2D6PTGER4KDM4CIDO1
SCHEMBL10029719 0.83 PTGER4 (0.41) SLC6A3CHRM2ADRA2ACHRM1DRD1
SCHEMBL10029718 0.82 PTGER4 (0.39) SLC6A3PTGER4KDM4C
SCHEMBL1744221 0.81 ALDH1A1 (0.38) SLC6A3CYP2D6PTGER4KDM4CMEN1
SCHEMBL4052862 0.81 SLC6A3 (0.41) SLC6A3CYP2D6PTGER4KDM4CIDO1
SCHEMBL10136515 0.81 SLC6A3 (0.44) SLC6A3CHRM2ADRA2ACHRM1DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240336645-A1 METALLOCENE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF PETROCHINA COMPANY LIMITED (CN) 2024-10-10 US disclosed
EP-4406978-A1 METALLOCENE COMPOUND, PREPARATION METHOD AND USE PetroChina Company Limited (CN) 2024-07-31 EP disclosed
CN-117801029-A Metallocene compound, preparation method and application 中国石油天然气股份有限公司 2024-04-02 CN disclosed
CN-117683061-A Metallocene compound ligand, preparation method and application 中国石油天然气股份有限公司 2024-03-12 CN 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 (1 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-20240336645-A1 METALLOCENE COMPOUND, AND PREPARATION METHOD AND APPLICATION THEREOF CPNE4, ZC3HAV1L, ZRANB2 SLC6A3 4045/4885CHRM2 958/4885ADRA2A 1514/4885

“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.