SCHEMBL21735554

SCHEMBL21735554

CCCCCn1c(-c2ccccc2)cc2ccc(OCCCC(F)(F)CCCO)cc21

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
PSEN1 P49768 10/20 0.43
PSEN2 P49810 10/20 0.43
APH1B Q8WW43 10/20 0.43
NCSTN Q92542 10/20 0.43
APH1A Q96BI3 10/20 0.43
PSENEN Q9NZ42 10/20 0.43
ACSS2 Q9NR19 2/20 0.40
MCL1 Q07820 3/20 0.39
NR1H2 P55055 1/20 0.37
PDE4B Q07343 1/20 0.37
GRIK1 P39086 1/20 0.36
GRIK2 Q13002 1/20 0.36

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
SCHEMBL21735546 0.90 ACSS2 (0.47) MTNR1AMTNR1BACSS2MCL1NR1H2
SCHEMBL21735703 0.89 MTNR1A (0.46) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL21735704 0.86 MTNR1A (0.43) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL21735647 0.86 KMT2A (0.43) MTNR1AMTNR1BACSS2MCL1NR1H2
SCHEMBL26292363 0.83 MTNR1A (0.52) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL21735550 0.81 NR1H2 (0.39) MTNR1AMTNR1BACSS2MCL1NR1H2
SCHEMBL22630104 0.81 GRIK2 (0.50) MTNR1AMTNR1BACSS2MCL1NR1H2
SCHEMBL21735538 0.78 MTNR1A (0.64) MTNR1AMTNR1BGRIK1GRIK2
SCHEMBL21735852 0.77 NR1H2 (0.51) MCL1NR1H2
SCHEMBL21735853 0.76 MTNR1A (0.42) MTNR1AMTNR1BACSS2MCL1NR1H2

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-11014901-B2 Hydrophobic compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-25 US disclosed
EP-3583091-B1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-11-04 EP disclosed
US-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-20 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-20200055833-A1 HYDROPHOBIC COMPOUNDS FOR OPTICALLY ACTIVE DEVICES UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885PSEN1 1388/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885PSEN1 1388/4885

“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.