SCHEMBL21070833

SCHEMBL21070833

Cc1ccc(Oc2ccc(Oc3ccc(O)cc3)c(C)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ESR1 P03372 1/20 0.50
ESR2 Q92731 1/20 0.50
LTA4H P09960 3/20 0.47
ACHE P22303 1/20 0.46
PGR P06401 2/20 0.44
AR P10275 2/20 0.44
NR1H2 P55055 1/20 0.44
BAX Q07812 1/20 0.44
TEAD4 Q15561 1/20 0.42
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL2485652 0.94 MEN1 (0.56) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL13011575 0.91 TEAD4 (0.50) MEN1KMT2AACHEARTEAD4
SCHEMBL465518 0.89 MEN1 (0.48) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL10749041 0.85 ESR1 (0.52) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL825065 0.85 ESR1 (0.52) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL28091759 0.84 ESR2 (0.46) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL10035481 0.82 MEN1 (0.74) MEN1KMT2AESR1ESR2LTA4H
Hydroquinone SCHEMBL10909082 0.82 MEN1 (0.74) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL3002512 0.82 MEN1 (0.74) MEN1KMT2AESR1ESR2LTA4H
SCHEMBL1101891 0.82 MEN1 (0.74) MEN1KMT2AESR1ESR2LTA4H

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-10766887-B2 Benzoxazine-based mixture and use thereof KOLON INDUSTRIES, INC. (KR) 2020-09-08 US disclosed
US-20190169177-A1 BENZOXAZINE-BASED MIXTURE AND USE THEREOF KOLON INDUSTRIES, INC. (KR) 2019-06-06 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-20190169177-A1 BENZOXAZINE-BASED MIXTURE AND USE THEREOF HELZ, GABBR1, CBX7 MEN1 3688/4885KMT2A 230/4885ESR1 535/4885
US-10766887-B2 Benzoxazine-based mixture and use thereof HELZ, GABBR1, CBX7 MEN1 3688/4885KMT2A 230/4885ESR1 535/4885

“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.