SCHEMBL21735133

SCHEMBL21735133

C=C(C)C(=O)OC1CCC(Oc2ccc3cc(-c4ccccc4)n(CCCCC)c3c2)C1(C)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
PSEN1 P49768 8/20 0.33
PSEN2 P49810 8/20 0.33
APH1B Q8WW43 8/20 0.33
NCSTN Q92542 8/20 0.33
APH1A Q96BI3 8/20 0.33
PSENEN Q9NZ42 8/20 0.33
CNR2 P34972 4/20 0.33
ALDH1A1 P00352 1/20 0.32
CNR1 P21554 3/20 0.32
NR5A2 O00482 2/20 0.32
NR5A1 Q13285 2/20 0.32
MEN1 O00255 1/20 0.30
GLA P06280 1/20 0.30
KMT2A Q03164 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
SCHEMBL21735166 0.85
SCHEMBL21735168 0.84 PPARG (0.32) CNR2
SCHEMBL21735813 0.84 MTNR1A (0.42) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL21735173 0.83 ALDH1A1 (0.32) MTNR1AMTNR1BALDH1A1
SCHEMBL21735148 0.80
SCHEMBL21735134 0.79
SCHEMBL22629901 0.78
SCHEMBL21735156 0.76 KMT2A (0.34) MTNR1AMTNR1BALDH1A1KMT2A
SCHEMBL22628843 0.76 HDAC6 (0.36) ALDH1A1MEN1GLAKMT2A
SCHEMBL26292388 0.75 MTNR1A (0.48) MTNR1AMTNR1BPSEN1PSEN2APH1B

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.