SCHEMBL21735689

SCHEMBL21735689

CC(=O)OCCCC(F)(F)CCCOc1ccc2cc(-c3ccccc3)n(C)c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NR1H2 P55055 1/20 0.38
PDE3B Q13370 2/20 0.37
PDE3A Q14432 2/20 0.37
P2RY12 Q9H244 2/20 0.37
MCL1 Q07820 6/20 0.37
PDE2A O00408 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALPL P05186 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HDAC1 Q13547 4/20 0.36
HDAC2 Q92769 4/20 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
SCHEMBL21735691 0.89 THRB (0.41) KMT2AMTNR1AMTNR1BNR1H2MCL1
SCHEMBL21735647 0.88 KMT2A (0.43) KMT2AMTNR1AMTNR1BNR1H2MCL1
SCHEMBL22630137 0.87 NR1H2 (0.37) MTNR1AMTNR1BNR1H2PDE3BPDE3A
SCHEMBL21735703 0.87 MTNR1A (0.46) KMT2AMTNR1AMTNR1BMCL1
SCHEMBL21735698 0.81 KMT2A (0.40) KMT2AMTNR1AMTNR1BNR1H2SMN1; SMN2
SCHEMBL21735513 0.80 NR1H2 (0.45) KMT2ANR1H2MCL1HDAC1HDAC2
SCHEMBL21735853 0.79 MTNR1A (0.42) MTNR1AMTNR1BNR1H2MCL1PPARA
SCHEMBL22630131 0.79 MTNR1A (0.39) KMT2AMTNR1AMTNR1BNR1H2MCL1
SCHEMBL21735569 0.79 POLB (0.40) MTNR1AMTNR1BNR1H2MCL1HDAC1
SCHEMBL22629969 0.78 MTNR1A (0.40) MTNR1AMTNR1BNR1H2MCL1CYP3A4

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 KMT2A 4264/4885MTNR1A 3327/4885MTNR1B 2622/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 KMT2A 4264/4885MTNR1A 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.