SCHEMBL6054676

SCHEMBL6054676

CC(C)c1cccc(C(C)C)c1[C]=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRA1 P14867 3/20 0.48
▸ GABRG2 P18507 2/20 0.48
▸ GABRB3 P28472 2/20 0.48
▸ GABRB2 P47870 2/20 0.48
▸ LMNA P02545 2/20 0.48
▸ FAAH O00519 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CYP1A2 P05177 1/20 0.48
▸ HPGD P15428 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ GABRB1 P18505 1/20 0.48
▸ PTGS1 P23219 1/20 0.48
▸ SLC6A2 P23975 1/20 0.48
▸ HTR2C P28335 1/20 0.48
▸ GABRA5 P31644 1/20 0.48
▸ GABRA3 P34903 1/20 0.48
▸ HTR2B P41595 1/20 0.48
▸ GABRA2 P47869 1/20 0.48

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
SCHEMBL11036599 0.79 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL2588899 0.75 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL13437803 0.75 GABRA1 (0.48) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL3304566 0.73 FABP4 (0.48) GABRA1GABRB2CA1CA2GABRB1
SCHEMBL535464 0.73 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRB2LMNA
Ethane SCHEMBL2154081 0.73 GABRA1 (0.46) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL3251341 0.73 ALDH1A1 (0.39) CYP3A4CYP1A2TSHRHIF1A
SCHEMBL3250611 0.73 GABRA1 (0.41) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL199413 0.73 GABRA1 (0.57) GABRA1GABRG2GABRB3GABRB2LMNA
SCHEMBL28827429 0.72 GABRA1 (0.48) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7045644-B2 Imidochromium compounds in catalyst systems for olefin polymerization BASELL POLYOLEFINE GMBH (DE) 2006-05-16 — — US disclosed
US-20040214970-A1 Imidochromium compounds in catalyst systems for olefin polymerization EQUISTAR CHEMICALS, LP 2004-10-28 — — US disclosed
US-6784261-B1 OBTAINED BY A PROCESS ENCOMPASSING THE FOLLOWING PROCESS STEPS: CONTACTING A DIOXOCHROMIUM COMPOUND WITH AN N-SULFINYL COMPOUND, CONTACTING THE REACTION PRODUCT THUS OBTAINED WITH CHLORINE, AT LEAST ONE ACTIVATOR COMPOUND BASELL POLYOLEFINE GMBH (DE) 2004-08-31 — — US disclosed
EP-1200453-B1 IMIDOCHROME COMPOUNDS CONTAINED IN CATALYST SYSTEMS FOR OLEFIN POLYMERISATION BASELL POLYOLEFINE GMBH (DE) 2003-02-19 — — EP 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-20040214970-A1 Imidochromium compounds in catalyst systems for olefin polymerization HCCS, PPOX, INF2 GABRA1 3668/4885GABRG2 4187/4885GABRB3 3397/4885

“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.

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