SCHEMBL21735706

SCHEMBL21735706

CC(C)Cn1c(-c2ccccc2)cc2ccc(OCC(CO)C(F)(F)F)cc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
KDM4E B2RXH2 7/20 0.39
ALDH1A1 P00352 6/20 0.39
HSD17B10 Q99714 4/20 0.39
BACE1 P56817 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPT P10636 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
HPGD P15428 2/20 0.37
ACSS2 Q9NR19 1/20 0.37
PSEN1 P49768 1/20 0.36
PSEN2 P49810 1/20 0.36
APH1B Q8WW43 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
SCHEMBL26292361 0.84 MTNR1A (0.46) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL21735545 0.84 MTNR1A (0.39) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL22630103 0.82 MTNR1A (0.40) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL22629348 0.81 MTNR1A (0.40) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL21735533 0.78 GRIK1 (0.58) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL26298661 0.78 MTNR1A (0.43) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL23893554 0.76 MTNR1A (0.45) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL22629969 0.76 MTNR1A (0.40) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL21735802 0.74 LMNA (0.33) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10
SCHEMBL23395720 0.74 MTNR1A (0.41) MTNR1AMTNR1BKDM4EALDH1A1HSD17B10

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 2622/4885KDM4E 4579/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 MTNR1A 3327/4885MTNR1B 2622/4885KDM4E 4579/4885

“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.