SCHEMBL21735229

SCHEMBL21735229

C=C(C)C(=O)OCC(CSc1ccc2cc(-c3cccnc3)oc2c1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2C19 P33261 2/20 0.34
CYP2E1 P05181 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2A6 P11509 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2B6 P20813 1/20 0.34
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
PPARG P37231 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
S1PR1 P21453 1/20 0.31
NPC1 O15118 2/20 0.31

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
SCHEMBL21735210 0.90 HDAC6 (0.37) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL21735268 0.89 CYP3A4 (0.33) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21735228 0.88 KDM4E (0.34) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21735227 0.86 APP (0.38) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL22629975 0.84 KDM4E (0.34) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21735380 0.82 CYP3A4 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21735075 0.82 CYP3A4 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21734929 0.82 CYP3A4 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21735837 0.81 CYP3A4 (0.36) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4
SCHEMBL21735373 0.81 CYP3A4 (0.34) KDM4EALDH1A1HPGDSMN1; SMN2CYP3A4

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 KDM4E 4579/4885ALDH1A1 1851/4885HPGD 189/4885
US-11014901-B2 Hydrophobic compounds for optically active devices UACA, CRYZ, TRPA1 KDM4E 4579/4885ALDH1A1 1851/4885HPGD 189/4885

“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.