SCHEMBL19657600

SCHEMBL19657600

CC(C)(C)c1ccc(-c2ccc3c(c2)CN(/C(N)=N/C(=O)C(F)(F)F)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
CCR2 P41597 6/20 0.39
ABHD6 Q9BV23 2/20 0.36
GPR142 Q7Z601 1/20 0.36
HSD17B3 P37058 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
BTK Q06187 1/20 0.36

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
SCHEMBL17902845 0.81 TMPRSS2 (0.52) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL14101113 0.75 ESR1 (0.68) ESR1ESR2MEN1KMT2AKDM4E
Trifluoroacetic Acid SCHEMBL17894529 0.73 NR1H2 (0.42) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL31742171 0.73 DPP7 (0.50) ESR1ESR2CCR2ABHD6
Hydrochloric Acid SCHEMBL31021974 0.73 DPP7 (0.49) ESR1ESR2CCR2ABHD6GPR142
SCHEMBL19639431 0.72 NR1H2 (0.41) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL13838815 0.72 ESR1 (0.47) ESR1ESR2NR1H2CCR2ABHD6
SCHEMBL13718336 0.72 ESR1 (0.52) ESR1ESR2CCR2ABHD6GPR142
SCHEMBL17894504 0.72 NR1H2 (0.47) ESR1ESR2MEN1KMT2AKDM4E
SCHEMBL13718183 0.71 NR1H2 (0.63) ESR1ESR2MAPTMAPK1NR1H2

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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS THE UNIVERSITY OF BATH (GB) 2017-11-30 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-20170342025-A1 ANTIMICROBIAL COMPOUNDS, COMPOSITIONS AND METHODS ZYX, MPO, CFB ESR1 2663/4885ESR2 2644/4885MEN1 3309/4885

“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.