SCHEMBL242955

SCHEMBL242955

CC(C)(C)c1cccc(C(C)(C)C)c1/N=C/C=N/c1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.46
ALOX12 P18054 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KIF11 P52732 1/20 0.34
PLA2G1B P04054 1/20 0.34
MAPT P10636 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
NPSR1 Q6W5P4 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL242956 1.00 CA2 (0.46) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL20954046 0.84 CA2 (0.44) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL20211348 0.84 CA2 (0.44) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL1758933 0.80 CA2 (0.38) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL1758934 0.80 CA2 (0.38) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL14280786 0.76 ALDH1A1 (0.49) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL14816945 0.74 ALDH1A1 (0.51) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL6663440 0.74 CA2 (0.40) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL16771251 0.73 CA2 (0.48) CA2ALOX12GABRA1GABRB2ALDH1A1
SCHEMBL361328 0.73 CA2 (0.48) CA2ALOX12GABRA1GABRB2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363923-B1 RHODIUM AND IRIDIUM COMPLEXES MERCK PATENT GMBH (DE) 2009-04-01 EP claimed
US-7125998-B2 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2006-10-24 US claimed
EP-1562964-B1 PALLADIUM AND PLATINUM COMPLEXES MERCK PATENT GMBH (DE) 2006-07-19 EP claimed
US-20040138455-A1 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2004-07-15 US claimed
US-12635401-B2 Metal complexes UDC Ireland (IE) 2026-05-19 US disclosed
EP-4069709-B1 METAL COMPLEXES UDC IRELAND LTD (IE) 2025-04-23 EP disclosed
US-12250871-B2 Metal complexes UDC IRELAND LIMITED (IE) 2025-03-11 US disclosed
US-20240260448-A1 Metal Complexes UDC IRELAND LIMITED (IE) 2024-08-01 US disclosed
US-11917901-B2 Metal complexes UDC IRELAND LIMITED (IE) 2024-02-27 US disclosed
US-20230056324-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-02-23 US disclosed
US-11404649-B2 Electroluminescent bridged metal complexes for use in electronic devices MERCK PATENT GMBH (DE) 2022-08-02 US disclosed
US-20220209141-A1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2022-06-30 US disclosed
US-20050031900-A1 Aromatic monomer-and conjugated polymer-metal complexes SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-02-10 US disclosed
US-20040138455-A1 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2004-07-15 US disclosed
US-6677268-B2 A METAL COMPLEXES AS HYDROFORMYLATION CATALYST OF OLEFINICALLY UNSATURATED COMPOUNDS INSTITUT FRANCAIS DU PETROLE (FR) 2004-01-13 US disclosed
US-6617474-B2 Reacting olefinically unsaturated compound with carbon monoxide and hydrogen in presence of polar phase comprising: a non-aqueous ionic liquid comprising quaternary ammonium and/or a quaternary phosphonium compound and catalyst; adding solvent INSTITUT FRANCAIS DU PETROLE (FR) 2003-09-09 US disclosed
US-20030055299-A1 Catalyst based on cobalt and/or rhodium employed in a two-phase medium INSTITUT FRANCAIS DU PETROLE (FR) 2003-03-20 US disclosed
US-6469216-B2 CO OR RH COMPLEX COORDINATED WITH A NITROGEN-CONTAINING LIGAND; QUATERNARY AMMONIUM OR PHOSPHONIUM IONIC SOLVENT INSTITUT FRANCAIS DU PETROLE (FR) 2002-10-22 US disclosed
US-20020099243-A1 Process for the hydroformylation of olefinically unsaturated compounds in a non-aqueous ionic solvent INSTITUT FRANCAIS DU PETROLE (FR) 2002-07-25 US disclosed
US-20010039363-A1 Process for hydroformylation using a catalyst based on cobalt and/or rhodium employed in a two-phase medium INSTITUT FRANCAIS DU PETROLE (FR) 2001-11-08 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 (9 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-12635401-B2 Metal complexes SCO2, SOD1, NR4A1 CA2 265/4885ALOX12 3227/4885GABRA1 1347/4885
US-20040138455-A1 Rhodium and iridium complexes RPIA, MPI, INPP5B CA2 274/4885ALOX12 4507/4885GABRA1 4094/4885
US-12250871-B2 Metal complexes AP1M1, SOD1, AP3M1 CA2 697/4885ALOX12 2446/4885GABRA1 2853/4885
US-20020099243-A1 Process for the hydroformylation of olefinically unsaturated compounds in a non-aqueous ionic solvent NUDT1, PHOSPHO1, SRSF6 CA2 269/4885ALOX12 281/4885GABRA1 4669/4885
US-20230056324-A1 METAL COMPLEXES MCU, IMMT, SOD1 CA2 729/4885ALOX12 3394/4885GABRA1 2239/4885
US-11404649-B2 Electroluminescent bridged metal complexes for use in electronic devices MCOLN2, MCOLN1, NCLN CA2 2624/4885ALOX12 2333/4885GABRA1 3682/4885
US-20220209141-A1 METAL COMPLEXES AP1M1, SOD1, AP3M1 CA2 697/4885ALOX12 2446/4885GABRA1 2853/4885
US-11917901-B2 Metal complexes MCOLN2, MCOLN1, AP1M1 CA2 1501/4885ALOX12 1454/4885GABRA1 4370/4885
US-20240260448-A1 Metal Complexes SOD1, AP1M1, AP3M1 CA2 898/4885ALOX12 2498/4885GABRA1 2699/4885

“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.