SCHEMBL21735802

SCHEMBL21735802

C=C(C)C(=O)OCC(COc1ccc2cc(-c3ccc(CC)cc3)n(CC(C)C)c2c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
MAPT P10636 2/20 0.31
THRB P10828 1/20 0.31
KDM4E B2RXH2 3/20 0.31
TSHR P16473 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
CASR P41180 1/20 0.30
ALDH1A1 P00352 2/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 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
SCHEMBL21735545 0.91 MTNR1A (0.39) MTNR1AMTNR1BMAPTKDM4ETSHR
SCHEMBL21735130 0.90 LMNA (0.31) LMNAMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL21735417 0.82 PPARG (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL21735799 0.81 PSEN1 (0.46) MTNR1AMTNR1BPSEN1PSEN2APH1B
SCHEMBL22630079 0.79 NR1H2 (0.33) LMNAMTNR1AMTNR1BMAPTTHRB
SCHEMBL21735395 0.79 CYP11B1 (0.36) MTNR1AMTNR1BKDM4EALDH1A1CYP3A4
SCHEMBL21735804 0.78 PSEN1 (0.34) THRBPSEN1PSEN2APH1BNCSTN
SCHEMBL21735422 0.78 ESR1 (0.36) LMNAMAPTKDM4ETSHRALDH1A1
SCHEMBL21735175 0.76 POLB (0.37) LMNAMTNR1AMTNR1BTSHR
SCHEMBL21735706 0.74 MTNR1A (0.40) LMNAMTNR1AMTNR1BMAPTKDM4E

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 2 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
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 LMNA 2186/4885MTNR1A 3327/4885MTNR1B 2622/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 LMNA 2186/4885MTNR1A 3327/4885MTNR1B 2622/4885

“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.