SCHEMBL132892

SCHEMBL132892

CC(C)c1ccccc1-c1cc(C(=O)c2cc(-c3ccccc3C(C)C)cc(-c3ccccc3C(C)C)c2)cc(-c2ccccc2C(C)C)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.53
GABRB1 P18505 1/20 0.53
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA9 Q16790 1/20 0.46
PPARA Q07869 2/20 0.46
PPARG P37231 1/20 0.46
BCL2 P10415 2/20 0.45
MCL1 Q07820 2/20 0.45
TRPA1 O75762 1/20 0.41
LMNA P02545 2/20 0.40
KMT2A Q03164 1/20 0.40
FFAR1 O14842 3/20 0.40
GABRB2 P47870 1/20 0.39
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
FFAR2 O15552 1/20 0.37

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
SCHEMBL7422808 0.79 TPMT (0.47) GABRA1GABRB1CA12CA1CA2
SCHEMBL21397889 0.79 CNR2 (0.39) GABRA1GABRB1CA12CA1CA2
SCHEMBL26356060 0.78 AKR1C3 (0.47) CA12CA1CA2CA9PPARA
SCHEMBL10094322 0.78 KMO (0.56) LMNAKMT2AFFAR1
SCHEMBL7421204 0.78 GLRA1 (0.44) GABRA1GABRB1CA12CA1CA2
SCHEMBL4068672 0.77 BAZ2B (0.51) CA12CA1CA2CA9LMNA
SCHEMBL30865718 0.77 TRPA1 (0.51) GABRA1GABRB1CA12CA1CA2
SCHEMBL20595521 0.76 CA1 (0.46) GABRA1GABRB1CA12CA1CA2
Acetic Acid SCHEMBL9578985 0.76 CA12 (0.54) GABRA1CA12CA1CA2CA9
SCHEMBL27513610 0.76 ABL1 (0.53) GABRA1GABRB1CA12CA1CA2

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 70 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2984152-B2 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2022-01-05 EP disclosed
EP-3658564-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2021-05-19 EP disclosed
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices MERCK PATENT GMBH 2021-01-12 US disclosed
EP-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
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
EP-2627730-B1 FORMULATIONS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2020-05-06 EP disclosed
US-10636990-B2 Organic electroluminescence device MERCK PATENT GMBH (DE) 2020-04-28 US disclosed
EP-2748878-B1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2020-04-01 EP disclosed
US-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2019-07-04 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-06-16 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
US-20110108818-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2011-05-12 US disclosed
WO-2010115498-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2010-10-14 WO disclosed
WO-2010108579-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2010-09-30 WO disclosed
WO-2010102706-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2010-09-16 WO disclosed
WO-2010069442-A1 ORGANIC ELECTROLUMINESCENCE DEVICE MERCK PATENT GMBH (DE) 2010-06-24 WO disclosed
WO-2010069444-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2010-06-24 WO disclosed
WO-2010006680-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICES MERCK PATENT GMBH (DE) 2010-01-21 WO 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 (3 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-20190202851-A1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES PARN, PUF60, PARG GABRA1 1329/4885GABRB1 1101/4885CA12 1746/4885
US-20110140043-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENCE DEVICE L1CAM, SLCO4C1, GJA1 GABRA1 2210/4885GABRB1 1726/4885CA12 2156/4885
US-10889604-B2 Binuclear and trinuclear metal complexes composed of two inter-linked tripodal hexadentate ligands for use in electroluminescent devices PARN, PUF60, PARG GABRA1 1329/4885GABRB1 1101/4885CA12 1746/4885

“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.