SCHEMBL21397927

SCHEMBL21397927

O=C(c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)c1)c1cc(-c2cc(Oc3ccccc3)cc(Oc3ccccc3)c2)cc(-c2cc(Oc3ccccc3)cc(Oc3ccc(-c4cc(-c5cc(C(=O)c6cc(-c7ccc(Oc8ccccc8)cc7)cc(-c7ccc(Oc8ccccc8)cc7)c6)cc(-c6ccc(Oc7ccccc7)cc6)c5)ccc4Oc4ccccc4)cc3)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSTP1 P09211 1/20 0.48
SRD5A2 P31213 2/20 0.43
FFAR4 Q5NUL3 4/20 0.42
FFAR1 O14842 1/20 0.41
MCL1 Q07820 4/20 0.40
BCL2L1 Q07817 1/20 0.40
TTR P02766 1/20 0.40
CAMKK2 Q96RR4 1/20 0.39
ERN1 O75460 1/20 0.38
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
SCN9A Q15858 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL22699489 0.88 FFAR4 (0.48) GSTP1SRD5A2FFAR4FFAR1MCL1
SCHEMBL20075862 0.86 FFAR4 (0.47) GSTP1SRD5A2FFAR4FFAR1MCL1
SCHEMBL134237 0.83 SRD5A2 (0.59) GSTP1SRD5A2MCL1BCL2L1ACACB
SCHEMBL132900 0.83 SRD5A2 (0.55) GSTP1SRD5A2MCL1POLB
SCHEMBL11821442 0.81 GSTP1 (0.54) GSTP1FFAR4FFAR1MCL1ACACB
SCHEMBL9211542 0.80 GSTP1 (0.56) GSTP1FFAR4FFAR1MCL1TTR
SCHEMBL2746908 0.80 SRD5A2 (0.53) GSTP1SRD5A2TTRCAMKK2PPARG
SCHEMBL29964327 0.80 SRD5A2 (0.53) GSTP1SRD5A2TTRCAMKK2PPARG
SCHEMBL5042761 0.79 SRD5A2 (0.53) GSTP1SRD5A2FFAR4FFAR1TTR
SCHEMBL29963819 0.79 SRD5A2 (0.53) GSTP1SRD5A2FFAR4FFAR1TTR

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-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices MERCK PATENT GMBH (DE) 2021-10-05 US disclosed
US-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-09-26 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-20190292210-A1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES AP2M1, MCU, AP3M1 GSTP1 1567/4885SRD5A2 3606/4885FFAR4 4754/4885
US-11136343-B2 Binuclear metal complexes for use as emitters in organic electroluminescent devices AP2M1, MCU, AP3M1 GSTP1 1567/4885SRD5A2 3606/4885FFAR4 4754/4885

“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.