SCHEMBL21735170

SCHEMBL21735170

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

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.32
ABL1 P00519 7/20 0.31
CYP11B1 P15538 3/20 0.31
CYP11B2 P19099 3/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
DPP4 P27487 1/20 0.30
DPP7 Q9UHL4 1/20 0.30
DYRK1A Q13627 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
SCHEMBL21735437 0.81 HDAC1 (0.35) ABL1CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL21734948 0.81 KDM4E (0.35) CYP11B1CYP11B2
SCHEMBL21735156 0.80 KMT2A (0.34) ALDH1A1SMN1; SMN2
SCHEMBL21735173 0.78 ALDH1A1 (0.32) ABL1CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL21735127 0.77 THRB (0.37)
SCHEMBL21735158 0.76 THRB (0.36)
SCHEMBL22628749 0.75 THRB (0.35)
SCHEMBL21735394 0.74 CYP11B1 (0.34) ABL1CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL22630037 0.72 HDAC1 (0.35) ABL1CYP11B1CYP11B2ALDH1A1LMNA
SCHEMBL22628842 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 HRH3 31/4885ABL1 4522/4885CYP11B1 2888/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 HRH3 31/4885ABL1 4522/4885CYP11B1 2888/4885

“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.