SCHEMBL243958

SCHEMBL243958

CC(C)c1cccc(C(C)C)c1N=CC=Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRB2 P47870 2/20 0.46
LMNA P02545 2/20 0.46
FAAH O00519 2/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
PTGS1 P23219 1/20 0.46
SLC6A2 P23975 1/20 0.46
HTR2C P28335 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
HTR2B P41595 1/20 0.46
GABRA2 P47869 1/20 0.46

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
SCHEMBL243957 1.00 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587586 0.98 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587728 0.98 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5588857 0.98 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587855 0.98 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL5587811 0.98 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL5590233 0.96 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL5589471 0.96 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL5588175 0.96 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA
Hydrochloric Acid SCHEMBL5587654 0.96 GABRA1 (0.43) GABRA1GABRG2GABRB3GABRB2LMNA

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 209 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
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
US-20260070936-A1 METAL COMPLEXES UDC IRELAND LTD (IE) 2026-03-12 US disclosed
US-12544733-B2 Gas/liquid oligomerization reactor having successive zones with variable diameters IFP Energies Nouvelles (FR) 2026-02-10 US disclosed
US-12479780-B2 Oligomerisation process comprising a step of recycling a pre-cooled solvent IFP Energies Nouvelles (FR) 2025-11-25 US disclosed
US-12364960-B2 Method for oligomerization in a reactor comprising a gas/liquid double distributor IFP Energies Nouvelles (FR) 2025-07-22 US disclosed
US-12312288-B2 Gas/liquid oligomerization reactor comprising transverse internals IFP Energies Nouvelles (FR) 2025-05-27 US disclosed
EP-4069709-B1 METAL COMPLEXES UDC IRELAND LTD (IE) 2025-04-23 EP disclosed
US-20250084014-A1 OLIGOMERISATION PROCESS COMPRISING A STEP OF RECYCLING A PRE-COOLED SOLVENT IFP Energies Nouvelles (FR) 2025-03-13 US disclosed
US-20040138455-A1 Rhodium and iridium complexes MERCK PATENT GMBH (DE) 2004-07-15 US disclosed
WO-2004007509-A1 LATE TRANSITION METAL CATALYSTS FOR OLEFIN POLYMERIZATION AND OLIGOMERIZATION EXXONMOBIL CHEMICAL PATENTS INC. (US) 2004-01-22 WO 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-20030225303-A1 Hydroformylation process employing a cobalt-based catalyst in a non-aqueous liquid with improved catalyst recycling INSTITUT FRANCAIS DU PETROLE (FR) 2003-12-04 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 (10 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-12544733-B2 Gas/liquid oligomerization reactor having successive zones with variable diameters NOD1, VAT1, DECR1 GABRA1 2029/4885GABRG2 3100/4885GABRB3 2497/4885
US-20260070936-A1 METAL COMPLEXES SCO2, CBR1, CORO1C GABRA1 692/4885GABRG2 1420/4885GABRB3 1214/4885
US-12635401-B2 Metal complexes SCO2, SOD1, NR4A1 GABRA1 1347/4885GABRG2 1833/4885GABRB3 1105/4885
US-20040138455-A1 Rhodium and iridium complexes RPIA, MPI, INPP5B GABRA1 4094/4885GABRG2 3515/4885GABRB3 4152/4885
US-12479780-B2 Oligomerisation process comprising a step of recycling a pre-cooled solvent COG4, PRPF40A, PRPF6 GABRA1 4066/4885GABRG2 4451/4885GABRB3 3470/4885
US-12312288-B2 Gas/liquid oligomerization reactor comprising transverse internals DCXR, OTUB1, INF2 GABRA1 3466/4885GABRG2 2672/4885GABRB3 3523/4885
US-20020099243-A1 Process for the hydroformylation of olefinically unsaturated compounds in a non-aqueous ionic solvent NUDT1, PHOSPHO1, SRSF6 GABRA1 4669/4885GABRG2 4576/4885GABRB3 4555/4885
US-20250084014-A1 OLIGOMERISATION PROCESS COMPRISING A STEP OF RECYCLING A PRE-COOLED SOLVENT COG4, PRPF40A, PRPF6 GABRA1 4066/4885GABRG2 4451/4885GABRB3 3470/4885
US-12364960-B2 Method for oligomerization in a reactor comprising a gas/liquid double distributor DUOX2, COASY, DUOX1 GABRA1 1948/4885GABRG2 1814/4885GABRB3 2791/4885
US-20030225303-A1 Hydroformylation process employing a cobalt-based catalyst in a non-aqueous liquid with improved catalyst recycling NUDT1, AP2S1, SRSF1 GABRA1 3690/4885GABRG2 3387/4885GABRB3 3139/4885

“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.