SCHEMBL21721671

SCHEMBL21721671

CC(C)(C)c1ccnc(-c2ccc(-c3ncccc3-c3cc(-c4ccccc4-c4ccc(-c5ncc(-c6ccccc6-c6cc(-c7cccnc7-c7ccc(-c8cc(C(C)(C)C)ccn8)cc7)cc(-c7cccnc7-c7ccc(-c8cc(C(C)(C)C)ccn8)cc7)c6)cn5)cc4)cc(-c4cccnc4-c4ccc(-c5cc(C(C)(C)C)ccn5)cc4)c3)cc2)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
PTGS1 P23219 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
TRPV1 Q8NER1 10/20 0.36
FEN1 P39748 1/20 0.34
ABL1 P00519 1/20 0.33
BCR P11274 1/20 0.33
TGFBR1 P36897 1/20 0.32
NPC1 O15118 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL19933825 0.90 FEN1 (0.41) PTGS2PTGS1KDM4EALDH1A1KMT2A
SCHEMBL18015581 0.89 TRPV1 (0.41) PTGS2PTGS1KDM4EALDH1A1KMT2A
SCHEMBL19794468 0.88 KDM4E (0.46) PTGS2PTGS1KDM4EALDH1A1KMT2A
SCHEMBL21125464 0.87 PTGS2 (0.40) PTGS2PTGS1KDM4EALDH1A1KMT2A
SCHEMBL21397875 0.85 KDM4E (0.38) PTGS2PTGS1KDM4EALDH1A1KMT2A
SCHEMBL19794405 0.83 NPC1 (0.40) ALDH1A1KMT2ATRPV1ABL1BCR
SCHEMBL19933623 0.82 KDM4E (0.41) PTGS2PTGS1KDM4EALDH1A1KMT2A
SCHEMBL21397935 0.81 TRPV1 (0.36) ALDH1A1KMT2ATRPV1ABL1BCR
SCHEMBL21721907 0.81 MEN1 (0.38) KMT2ATRPV1FEN1ABL1BCR
SCHEMBL19794448 0.81 TRPV1 (0.46) KDM4EALDH1A1KMT2ATRPV1ABL1

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
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed
US-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-02-13 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-20200052213-A1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES BICRA, NCLN, IMMT PTGS2 4321/4885PTGS1 4543/4885KDM4E 3160/4885

“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.