SCHEMBL24046232

SCHEMBL24046232

C=CC(=O)OC(C)(C)CC(C)c1ccc2cc(-c3ccccc3C(F)(F)F)c(=O)oc2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 2/20 0.36
AKR1C3 P42330 2/20 0.36
AKR1C2 P52895 2/20 0.36
KLK7 P49862 1/20 0.35
NPC1 O15118 4/20 0.35
RAB9A P51151 4/20 0.35
KDM4E B2RXH2 4/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.35
TERT O14746 5/20 0.34
GLA P06280 2/20 0.33
CYP19A1 P11511 1/20 0.33
GAA P10253 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
POLB P06746 1/20 0.32

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
SCHEMBL26854645 0.87 KLK7 (0.42) MIFKLK7NPC1RAB9AKDM4E
SCHEMBL23713546 0.87 MIF (0.36) MIFAKR1C3AKR1C2KLK7NPC1
SCHEMBL24046292 0.86 MIF (0.36) MIFAKR1C3AKR1C2KLK7NPC1
SCHEMBL21524220 0.83 MIF (0.39) MIFAKR1C3AKR1C2KLK7NPC1
SCHEMBL23713490 0.81 MIF (0.40) MIFKLK7NPC1RAB9AKDM4E
SCHEMBL27105690 0.81 KLK7 (0.41) MIFKLK7NPC1RAB9AKDM4E
SCHEMBL21116161 0.80 NPC1 (0.39) MIFKLK7NPC1RAB9AKDM4E
SCHEMBL18535561 0.75 KDM4E (0.46) KLK7NPC1RAB9AKDM4EHPGD
SCHEMBL24046288 0.74 MIF (0.38) MIFKLK7NPC1RAB9AKDM4E
SCHEMBL18535568 0.74 RAB9A (0.40) MIFKLK7NPC1RAB9AKDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES MERCK PATENT GMBH (DE) 2021-11-25 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 (1 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-20210363122-A1 COMPOUNDS FOR OPTICALLY ACTIVE DEVICES PDE6C, ALDH1A2, PDE6A MIF 1378/4885AKR1C3 2312/4885AKR1C2 2637/4885

“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.