SCHEMBL21735546

SCHEMBL21735546

CCn1c(-c2ccccc2)cc2ccc(OCCCC(F)(F)CCCO)cc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACSS2 Q9NR19 8/20 0.47
GRIK1 P39086 1/20 0.46
GRIK2 Q13002 1/20 0.46
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
NR1H2 P55055 1/20 0.39
MCL1 Q07820 3/20 0.38
PDK2 Q15119 4/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL22630104 0.91 GRIK2 (0.50) ACSS2GRIK1GRIK2MTNR1AMTNR1B
SCHEMBL21735554 0.90 MTNR1A (0.44) ACSS2GRIK1GRIK2MTNR1AMTNR1B
SCHEMBL21735647 0.87 KMT2A (0.43) ACSS2MTNR1AMTNR1BNR1H2MCL1
SCHEMBL21735853 0.85 MTNR1A (0.42) ACSS2GRIK1GRIK2MTNR1AMTNR1B
SCHEMBL21735550 0.84 NR1H2 (0.39) ACSS2MTNR1AMTNR1BNR1H2MCL1
SCHEMBL26292352 0.81 GRIK2 (0.58) ACSS2GRIK1GRIK2MTNR1AMTNR1B
SCHEMBL21735703 0.79 MTNR1A (0.46) MTNR1AMTNR1BMCL1L3MBTL1
SCHEMBL22629969 0.78 MTNR1A (0.40) MTNR1AMTNR1BNR1H2MCL1L3MBTL1
SCHEMBL21735852 0.78 NR1H2 (0.51) NR1H2MCL1PDK2FGFR1SRC
SCHEMBL21735689 0.76 KMT2A (0.40) MTNR1AMTNR1BNR1H2MCL1

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 ACSS2 3301/4885GRIK1 1873/4885GRIK2 2281/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ACSS2 3301/4885GRIK1 1873/4885GRIK2 2281/4885

“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.