SCHEMBL21761397

SCHEMBL21761397

CCc1ccc(-c2cc3ccc(CCC(O)CCc4ccc5cc(-c6ccc(C)cc6OC(F)(F)F)c(=O)oc5c4)cc3oc2=O)c(OC(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.37
MAOB P27338 6/20 0.36
CYP19A1 P11511 3/20 0.36
STS P08842 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
NOD2 Q9HC29 1/20 0.35
MIF P14174 2/20 0.35
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
ADAM17 P78536 1/20 0.34
ACHE P22303 1/20 0.34
TP53 P04637 1/20 0.33
STAT3 P40763 1/20 0.33

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
SCHEMBL22590849 0.92 CNR1 (0.37) MAOBCYP19A1MIF
SCHEMBL22590855 0.86 GLA (0.33) GLAMAOBCYP19A1STSKDM4E
SCHEMBL22590882 0.81 MIF (0.40) MAOBCYP19A1KDM4EHPGDMIF
SCHEMBL21116158 0.81 MIF (0.54) GLAKDM4EALDH1A1GAAHPGD
SCHEMBL22590756 0.79 HPN (0.43) GLAMAOBKDM4EALDH1A1GAA
SCHEMBL21761558 0.78 MIF (0.56) GLAMAOBKDM4EALDH1A1GAA
SCHEMBL18583398 0.75 MIF (0.49) GLAKDM4EALDH1A1GAAHPGD
SCHEMBL21065582 0.74 GPR55 (0.39) MAOBCYP19A1KDM4EALDH1A1LMNA
SCHEMBL22590761 0.74 MAPT (0.40) GLAMAOBSTSKDM4EALDH1A1
SCHEMBL18583393 0.73 GLA (0.56) GLAMAOBKDM4EALDH1A1GAA

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-11001576-B2 Compounds for optically active devices MERCK PATENT GMBH (DE) 2021-05-11 US disclosed
US-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2020-02-27 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-20200062739-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, PDE6A, PDE6D GLA 247/4885MAOB 372/4885CYP19A1 1108/4885
US-11001576-B2 Compounds for optically active devices PDE6C, PDE6A, PDE6D GLA 247/4885MAOB 372/4885CYP19A1 1108/4885

“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.