SCHEMBL21168548

SCHEMBL21168548

c1ccc(-c2ccc(N(c3ccc4ccccc4c3)c3ccccc3-c3ccccc3N(c3ccc(-c4ccccc4)cc3)c3ccc4ccccc4c3)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
GSTP1 P09211 1/20 0.38
ALOX5 P09917 5/20 0.37
PTGES O14684 4/20 0.37
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17811611 0.92 PTGES (0.35) ESR1ESR2GSTP1ALOX5PTGES
SCHEMBL14972789 0.90 ESR1 (0.36) ESR1ESR2GSTP1ALOX5PTGES
SCHEMBL23449826 0.90 GSTP1 (0.46) ESR1ESR2GSTP1ALOX5PTGES
SCHEMBL27520183 0.90 PSMB5 (0.35) GSTP1ALOX5PTGESHSD17B1HSD17B2
SCHEMBL24638595 0.89 GSTP1 (0.42) ESR1ESR2GSTP1ALOX5PTGES
SCHEMBL25580307 0.89 HSD17B1 (0.36) ESR1ESR2GSTP1ALOX5PTGES
SCHEMBL25580304 0.89 HSD17B1 (0.36) ESR1ESR2GSTP1ALOX5PTGES
SCHEMBL20313374 0.89 ESR1 (0.44) ESR1ESR2GSTP1ALOX5PTGES
SCHEMBL19089871 0.89 ESR1 (0.44) ESR1ESR2GSTP1ALOX5PTGES
SCHEMBL25000699 0.88 MEN1 (0.37) ESR1ESR2GSTP1ALOX5PTGES

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-20200231534-A1 ARYLDIAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT HODOGAYA CHEMICAL CO., LTD. (JP) 2020-07-23 US disclosed
EP-3511316-A1 ARYLDIAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT Hodogaya Chemical Co., Ltd. (JP) 2019-07-17 EP 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-20200231534-A1 ARYLDIAMINE COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT FTO, SLC19A1, ALKBH1 ESR1 477/4885ESR2 463/4885GSTP1 4491/4885

“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.