SCHEMBL21735173

SCHEMBL21735173

C=C(C)C(=O)OC1CCC(Oc2ccc3cc(-c4cccnc4)n(CC)c3c2)C1(C)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.32
LMNA P02545 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LYN P07948 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
CYP11B1 P15538 5/20 0.31
CYP11B2 P19099 5/20 0.31
MKNK1 Q9BUB5 2/20 0.30
MKNK2 Q9HBH9 2/20 0.30
PADI4 Q9UM07 1/20 0.30
ABL1 P00519 1/20 0.30
HTT P42858 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
SCHEMBL21735133 0.83 MTNR1A (0.40) ALDH1A1MTNR1AMTNR1B
SCHEMBL21735440 0.81 HDAC1 (0.35) ALDH1A1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL21734945 0.81 SOAT2 (0.35)
SCHEMBL21735170 0.78 HRH3 (0.32) ALDH1A1LMNASMN1; SMN2CYP11B1CYP11B2
SCHEMBL21735148 0.78
SCHEMBL21735134 0.77
SCHEMBL21735142 0.76 CYP11B1 (0.33) ALDH1A1HCRTR1HCRTR2CYP11B1CYP11B2
SCHEMBL21735395 0.74 CYP11B1 (0.36) ALDH1A1SMN1; SMN2LYNMTNR1AMTNR1B
SCHEMBL22628868 0.74 LYN (0.37) ALDH1A1SMN1; SMN2LYNMTNR1AMTNR1B
SCHEMBL22628843 0.72 HDAC6 (0.36) ALDH1A1LMNASMN1; SMN2

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 ALDH1A1 1851/4885LMNA 2186/4885SMN1; SMN2 4872/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 ALDH1A1 1851/4885LMNA 2186/4885SMN1; SMN2 4872/4885

“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.