SCHEMBL12864228

SCHEMBL12864228

CC(C)(C)c1cc(C(=O)c2cc(C(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)cc(C3(c4cc(C(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)cc(C(=O)c5cc(C(C)(C)C)cc(C(C)(C)C)c5)c4)c4ccccc4-c4ccccc43)c2)cc(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR1 P03372 1/20 0.40
▸ ESR2 Q92731 1/20 0.40
▸ PDK2 Q15119 4/20 0.38
▸ RXRA P19793 2/20 0.36
▸ RXRB P28702 2/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ OPRK1 P41145 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ RXRG P48443 1/20 0.36
▸ ALOX5 P09917 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ SRD5A2 P31213 1/20 0.35
▸ ACHE P22303 3/20 0.35
▸ SIRT1 Q96EB6 1/20 0.35
▸ POLB P06746 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
SCHEMBL12864216 0.90 SRD5A2 (0.47) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL12879928 0.88 CYP26A1 (0.35) ESR1ESR2PDK2RXRARXRB
SCHEMBL2606070 0.83 SRD5A2 (0.41) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL1167840 0.82 TDP1 (0.52) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL12864215 0.81 ESR1 (0.46) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2605984 0.79 ALDH1A1 (0.48) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL12864223 0.78 CNR1 (0.41) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL12864217 0.77 POLB (0.47) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL2605975 0.77 PDK2 (0.46) ESR1ESR2PDK2MEN1KMT2A
SCHEMBL12864302 0.77 PDK2 (0.46) ESR1ESR2PDK2MEN1KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023117835-A1 ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2023-06-29 — — WO disclosed
US-8361638-B2 Fluorine derivatives for organic electroluminescence devices MERCK PATENT GMBH (DE) 2013-01-29 — — US disclosed
US-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2011-02-17 — — 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-20110037027-A1 FLUORINE DERIVATIVES FOR ORGANIC ELECTROLUMINESCENCE DEVICES SLCO4C1, CTCF, AFF2 ESR1 36/4885ESR2 198/4885PDK2 2382/4885

“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.

Send feedback